SCHEMBL4801089

SCHEMBL4801089

COC1=CC[CH]C(c2cccc(Cl)c2)=C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MAPK10 P53779 3/20 0.37
SLC6A3 Q01959 4/20 0.37
NR1I3 Q14994 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
PDE4B Q07343 2/20 0.36
SLC6A2 P23975 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTR2C P28335 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4D Q08499 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
SCHEMBL6407852 0.84 CACNA2D1 (0.38) TAAR1HTR2CNPC1MAPTSMN1; SMN2
SCHEMBL6047619 0.83 CYP1A1 (0.40) PDE4BMAPK14MAPTTSHRPDE4D
SCHEMBL4804654 0.83 ACHE (0.39) MAPK10HTR2CNPC1TSHRSMN1; SMN2
SCHEMBL5887546 0.83 DYRK1A (0.44) NOTUMSLC6A3SLC6A2HTR2C
SCHEMBL4807843 0.80 MEN1 (0.33) SLC6A3SLC6A2NPC1TSHRSMN1; SMN2
SCHEMBL4802145 0.79 AHR (0.41) NOTUMMAPK10SLC6A3SLC6A2MAPK9
SCHEMBL4012746 0.79 NOTUM (0.36) NOTUMNPC1MAPTTSHRSMN1; SMN2
SCHEMBL9650518 0.78 HTR2C (0.37) NOTUMTAAR1HTR2CNPC1TSHR
SCHEMBL4014782 0.77 PGR (0.36) TAAR1HTR2C
SCHEMBL5887377 0.77 MAPT (0.42) NOTUMNPC1MAPTTSHRSMN1; 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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR NOTUM 4422/4885MAPK10 1116/4885SLC6A3 2192/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 NOTUM 2395/4885MAPK10 2580/4885SLC6A3 2319/4885

“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.