SCHEMBL4013100

SCHEMBL4013100

Cc1ccc(C2=CC[CH]C(Cl)=C2c2cccc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2C P28335 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PGR P06401 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4154641 0.85 CYP2D6 (0.41) ESR2SMN1; SMN2MAPTMEN1CYP2C9
SCHEMBL4013085 0.83 CYP2D6 (0.38) MAPTMEN1CYP2C9CYP2C19KMT2A
SCHEMBL5887126 0.82 ALKBH3 (0.42) SMN1; SMN2MAPTMEN1CYP2C9CYP2C19
SCHEMBL4808757 0.80 ESR2 (0.39) ESR2SMN1; SMN2ALOX5TAAR1HTR2C
SCHEMBL4012821 0.77 ESR2 (0.36) ESR2SMN1; SMN2ALOX5TP53MAPT
SCHEMBL4006209 0.77 HTR2C (0.39) ESR2SMN1; SMN2ALOX5TAAR1HTR2C
SCHEMBL5887086 0.75 ALKBH3 (0.46) SMN1; SMN2ALOX5MAPTMEN1CYP2C9
SCHEMBL5887236 0.75 ESR2 (0.35) ESR2SMN1; SMN2ALOX5TAAR1HTR2C
SCHEMBL5887188 0.74 ALDH1A1 (0.33) ESR2TP53GAAMAPTCYP2C9
SCHEMBL3793227 0.72 ESR2 (0.60) ESR2SMN1; SMN2ALOX5TAAR1MAPT

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 14 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
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 ESR2 720/4885SMN1; SMN2 1459/4885ALOX5 2648/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ESR2 336/4885SMN1; SMN2 4470/4885ALOX5 4355/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ESR2 122/4885SMN1; SMN2 4607/4885ALOX5 480/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ESR2 176/4885SMN1; SMN2 4633/4885ALOX5 3355/4885

“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.