SCHEMBL1679810

SCHEMBL1679810

Cc1on[c]c1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD11B1 P28845 2/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL5199157 0.84 ALDH1A1 (0.41) PTGS1PTGS2NPC1LMNAKMT2A
SCHEMBL14164034 0.66 ALDH1A1 (0.49) HSD11B1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL9987876 0.66 L3MBTL1 (0.50) PTGS1PTGS2HSD17B10NPC1RAB9A
SCHEMBL10394013 0.66 PTGS1 (0.66) PTGS1PTGS2HSD17B10LMNAMAPT
SCHEMBL14678366 0.66 PTGS1 (0.61) PTGS1PTGS2HSD11B1HSD17B10LMNA
SCHEMBL10083918 0.66 PTGS1 (0.66) PTGS1PTGS2HSD17B10LMNAMAPT
SCHEMBL1435605 0.64 NPC1 (0.53) HSD11B1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL1086652 0.64 PTGS1 (0.47) PTGS1PTGS2HSD11B1HSD17B10NPC1
SCHEMBL14258658 0.63 PTGS1 (0.62) PTGS1PTGS2HSD17B10LMNAMAPT
SCHEMBL1946632 0.63 NPC1 (0.52) HSD17B10NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4663982-B2 2011-04-06 JP claimed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US claimed
EP-1451177-B1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE GRUENENTHAL GMBH (DE) 2007-03-21 EP claimed
JP-2005511694-A 2005-04-28 JP claimed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US claimed
EP-1451177-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2004-09-01 EP claimed
WO-2003048156-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2003-06-12 WO claimed
US-7271192-B2 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2007-09-18 US disclosed
EP-1451177-B1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE GRUENENTHAL GMBH (DE) 2007-03-21 EP disclosed
US-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds GRUENENTHAL GMBH (DE) 2005-01-20 US disclosed
EP-1451177-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2004-09-01 EP disclosed
WO-2003048156-A1 SUBSTITUTED 2-PYRROLIDINE-2-YL-1H-INDOLE DERIVATIVES FOR THE TREATMENT OF MIGRAINE Grünenthal GmbH (DE) 2003-06-12 WO disclosed
US-4122189-A METHYL METHIONINE SULFONIUM SALTS KAKEN CHEMICAL CO., LTD. (JP) 1978-10-24 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 (1 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-20050014815-A1 Substituted 2-pyrrolidine-2-yl-1H-indole compounds IDO1, IDO2, TPH2 PTGS1 364/4885PTGS2 202/4885HSD11B1 1875/4885

“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.