SCHEMBL5765773

SCHEMBL5765773

CCc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
HTR6 P50406 8/20 0.37
GPR52 Q9Y2T5 2/20 0.37
BRD4 O60885 1/20 0.37
HTR2C P28335 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL5762631 0.89 CCR5 (0.41) PLATGABRA1GABRG2GABRB3HTR2C
SCHEMBL5765174 0.89 HTR6 (0.48) GABRA1GABRG2GABRB3HTR6HTR2C
SCHEMBL5766073 0.87 HTR6 (0.40) PLATGABRA1GABRG2GABRB3HTR6
SCHEMBL5765101 0.87 HTR6 (0.50) GABRA1GABRG2GABRB3HTR6GPR52
SCHEMBL5765038 0.87 HTR6 (0.50) PLATHTR6GPR52HTR2CSLC6A4
SCHEMBL5764962 0.86 DHFR (0.44) GABRA1GABRG2GABRB3HTR6GPR52
SCHEMBL5764616 0.86 HTR6 (0.53) PLATHTR6GPR52HTR2CMEN1
SCHEMBL5762609 0.86 GABRA1 (0.50) PLATGABRA1GABRG2GABRB3HTR2C
SCHEMBL5766620 0.85 HTR6 (0.52) GABRA1GABRG2GABRB3HTR6SLC6A2
SCHEMBL5763045 0.85 HTR2C (0.49) GPR52HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192133-B1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
US-6593346-B2 Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. MERCK & CO. INC. 2003-07-15 US disclosed
US-6538002-B1 In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents MERCK & CO., INC. 2003-03-25 US disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
US-6432981-B1 BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS MERCK & CO., INC. 2002-08-13 US disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 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 (1 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-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 PLAT 3959/4885GABRA1 1033/4885GABRG2 2226/4885

“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.