SCHEMBL4801188

SCHEMBL4801188

Clc1ccccc1-c1[c]c2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.34
NOTUM Q6P988 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL5887130 0.74 AHR (0.42) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL4460823 0.71 AHR (0.38) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL1477743 0.67 CYP2A6 (0.46) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL21296043 0.67 NPC1 (0.40) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL547798 0.66 MAOB (0.47) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL21295692 0.66 KDM4E (0.46) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL23233733 0.64 AHR (0.48) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL29596911 0.64 AHR (0.48) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL671133 0.64 CYP2A6 (0.67) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL29883244 0.64 CYP2A6 (0.67) NPC1RAB9AHPGDTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R NPC1 1831/4885RAB9A 1054/4885HPGD 1690/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR NPC1 1873/4885RAB9A 1457/4885HPGD 2028/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 NPC1 1514/4885RAB9A 1988/4885HPGD 618/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R NPC1 2930/4885RAB9A 1724/4885HPGD 1666/4885

“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.