SCHEMBL4014977

SCHEMBL4014977

Cc1ccc(-n2c[c]c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
MAPT P10636 6/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
FGFR1 P11362 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CMA1 P23946 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
SCHEMBL6481750 0.78 KMT2A (0.34) CYP1A2MAPTKMT2AMEN1FGFR1
SCHEMBL6480836 0.75 SCN2A (0.44) L3MBTL1ALDH1A1MAPTNPC1KMT2A
SCHEMBL6480842 0.71 CYP2A6 (0.41) L3MBTL1ALDH1A1HSD17B10MAPTFGFR1
SCHEMBL3079071 0.70 LMNA (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4275590 0.70 FGFR1 (0.50) ALDH1A1HSD17B10NPC1KMT2AMEN1
SCHEMBL927443 0.68 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL193935 0.67 GPR3 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5497340 0.67 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL4014784 0.66 ALDH1A1 (0.35) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29733475 0.65 BIRC5 (0.67) L3MBTL1ALDH1A1KDM4EMAPTNPC1

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 17 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
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP 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
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 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 (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 L3MBTL1 2437/4885ADORA3 235/4885ALDH1A1 1572/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR L3MBTL1 3369/4885ADORA3 425/4885ALDH1A1 2402/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 L3MBTL1 2588/4885ADORA3 282/4885ALDH1A1 597/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R L3MBTL1 3656/4885ADORA3 246/4885ALDH1A1 1501/4885

“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.