SCHEMBL325246

SCHEMBL325246

[c]1snnc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 3/20 0.39
IDH1 O75874 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SORT1 Q99523 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL657281 0.68 RAB9A (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL2091225 0.67 ALDH1A1 (0.42) CALM1ALDH1A1TSHRLMNA
SCHEMBL29271 0.65 CALM1 (0.44) CALM1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1086378 0.64 CALM1 (0.42) CALM1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL335199 0.64 CALM1 (0.42) CALM1ALDH1A1RAB9ASMN1; SMN2HPGD
Diphenylmethane SCHEMBL3792579 0.64 CALM1 (1.00) CALM1ALDH1A1IDH1HPGDTSHR
Diphenylmethane SCHEMBL14763944 0.64 CALM1 (1.00) CALM1ALDH1A1IDH1HPGDTSHR
Diphenylmethane SCHEMBL4361124 0.64 CALM1 (1.00) CALM1ALDH1A1IDH1HPGDTSHR
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1ALDH1A1IDH1HPGDTSHR
Diphenylmethane SCHEMBL28172316 0.64 CALM1 (1.00) CALM1ALDH1A1IDH1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US claimed
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 US claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US claimed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
WO-2006014136-A1 PIPERIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-02-09 WO claimed
WO-2006014135-A1 NOVEL PIPERIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS FOR TREATMENT OF DEPRESSION ASTRAZENECA AB (SE) 2006-02-09 WO claimed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP claimed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP claimed
WO-2005085225-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-15 WO claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO claimed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US claimed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 CALM1 3347/4885ALDH1A1 3787/4885IDH1 250/4885
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors F2, F13B, SERPINE1 CALM1 4541/4885ALDH1A1 2124/4885IDH1 1874/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 CALM1 1965/4885ALDH1A1 1573/4885IDH1 4817/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG CALM1 3802/4885ALDH1A1 3099/4885IDH1 2215/4885
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 CALM1 4541/4885ALDH1A1 2124/4885IDH1 1874/4885

“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.