SCHEMBL623955

SCHEMBL623955

N#CC1(c2ccc(F)cc2)CCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
OPRM1 P35372 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD11B1 P28845 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1019298 0.96 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31441142 0.94 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1021622 0.94 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4201312 0.91 OPRM1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2772192 0.86 CYP1A2 (0.43) ALDH1A1OPRM1CYP2D6
SCHEMBL625655 0.82 OPRM1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2302830 0.82 OPRM1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17761267 0.82 OPRM1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1559063 0.81 PDE4A (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
Bromide SCHEMBL2276258 0.81 OPRM1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2024-04-30 US disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 CN disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
EP-3414224-B1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-03-23 EP disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME LLC 2004-06-03 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK SHARP & DOHME LLC 2004-03-11 US disclosed
WO-2003104208-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
EP-1318988-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) Sepracor, Inc. (US) 2003-06-18 EP disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 US disclosed
WO-2002022572-A2 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) SEPRACOR, INC. (US) 2002-03-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 ALDH1A1 279/4885NPC1 1102/4885RAB9A 3636/4885
US-20040048912-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA HSD11B1, HSD17B1, HSD11B2 ALDH1A1 187/4885NPC1 177/4885RAB9A 4144/4885
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885NPC1 2520/4885RAB9A 2742/4885
US-20040106664-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD11B2, HSD17B1 ALDH1A1 287/4885NPC1 235/4885RAB9A 3790/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 ALDH1A1 873/4885NPC1 145/4885RAB9A 1348/4885
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G ALDH1A1 1696/4885NPC1 3673/4885RAB9A 1493/4885
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885NPC1 2520/4885RAB9A 2742/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 ALDH1A1 873/4885NPC1 145/4885RAB9A 1348/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A ALDH1A1 1043/4885NPC1 4633/4885RAB9A 2644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.