SCHEMBL4808028

SCHEMBL4808028

Cc1ccc(-c2[c]c3ccccc3cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
GPR84 Q9NQS5 1/20 0.38
ATM Q13315 1/20 0.37
PSMB5 P28074 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4808761 0.92 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5887228 0.92 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5887171 0.89 NPC1 (0.38) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5887050 0.87 RAB9A (0.38) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7802739 0.86 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4800894 0.85 MEN1 (0.38) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL667985 0.85 ALDH1A1 (0.38) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL6400913 0.83 ESR2 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL5887304 0.82 ABL1 (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL8177783 0.79 ALDH1A1 (0.33) MEN1KMT2ARAB9ANPC1ALDH1A1

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 7 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
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 MEN1 1705/4885KMT2A 2927/4885RAB9A 1054/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MEN1 2404/4885KMT2A 4002/4885RAB9A 1457/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MEN1 4171/4885KMT2A 4582/4885RAB9A 1988/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MEN1 2294/4885KMT2A 2877/4885RAB9A 1724/4885

“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.