SCHEMBL943337

SCHEMBL943337

C1CCC(N2CCNCC2)CC1

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.64
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
SLC18A3 Q16572 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
RAD52 P43351 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL451992 1.00 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL43171 1.00 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL1267270 1.00 HTR6 (0.64) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL8695162 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Piperazine SCHEMBL27903046 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL28809524 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL572044 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Water SCHEMBL14860181 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL6499302 0.97 HTR6 (0.61) HTR6KMT2AHPGDSMN1; SMN2HRH3
SCHEMBL271868 0.97 HTR6 (0.67) HTR6KMT2AHPGDSMN1; SMN2HRH3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238643-B2 Amide compounds GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-19 US claimed
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP claimed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US claimed
WO-2007001406-A2 ARYL-CONTAINING MACROCYCLIC COMPOUNDS CHIRON CORPORATION (US) 2007-01-04 WO claimed
CN-107531685-B Compounds with antitumor activity AB科学有限公司 2021-04-23 CN disclosed
US-9238643-B2 Amide compounds GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-19 US disclosed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US disclosed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
US-4495186-A SALT FORMATION WITH A DIHYDROXYALUMINUM-A-HYDROXYCARBAXYLIC ACID CAMILLO CORVI S.P.A. (IT) 1985-01-22 US disclosed
US-4123530-A ANTIULCER AGENTS CAMILLO CORVI S.P.A. (IT) 1978-10-31 US 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 (3 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-20130245033-A1 AMIDE COMPOUNDS AR, AVPR2, H1-0 HTR6 436/4885KMT2A 1161/4885HPGD 2840/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK HTR6 4286/4885KMT2A 1429/4885HPGD 4435/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 HTR6 1621/4885KMT2A 3144/4885HPGD 1416/4885

“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.