SCHEMBL4812646

SCHEMBL4812646

Cc1cccc(C(Cc2cc(-c3ccc(N(C)C)cc3)nn2Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CCKAR P32238 3/20 0.41
POLB P06746 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL4805886 0.86 CCKAR (0.43) SMN1; SMN2TDP1CCKARPOLBHDAC3
SCHEMBL4806295 0.81 CCKAR (0.41) SMN1; SMN2TDP1CCKARPOLBMAPT
SCHEMBL4008792 0.74 CCKAR (0.51) SMN1; SMN2CCKARMAPTTP53ALDH1A1
SCHEMBL4807778 0.72 CCKAR (0.46) CCKARMAPT
SCHEMBL4806745 0.71 CCKAR (0.77) CCKAR
SCHEMBL4807571 0.70 CCKAR (0.57) CCKAR
SCHEMBL4809849 0.68 CCKAR (0.52) CCKAR
SCHEMBL4800246 0.67 CRHR1 (0.41) CCKARHDAC3HDAC4HDAC1HDAC7
SCHEMBL4007767 0.67 CCKAR (0.41) CCKAR
SCHEMBL4807450 0.66 CCKAR (0.63) CCKARMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
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
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
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US 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 (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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R SMN1; SMN2 1459/4885TDP1 2703/4885CCKAR 1/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR SMN1; SMN2 4470/4885TDP1 3967/4885CCKAR 1/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR SMN1; SMN2 4470/4885TDP1 3967/4885CCKAR 1/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 SMN1; SMN2 4607/4885TDP1 4321/4885CCKAR 1/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R SMN1; SMN2 4633/4885TDP1 4296/4885CCKAR 1/4885

“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.