SCHEMBL5764449

SCHEMBL5764449

FC(F)(F)Oc1ccc(Cc2ncc(C3CCNCC3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.42
HTR2C P28335 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HRH1 P35367 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PRMT5 O14744 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PIM1 P11309 1/20 0.35
SCN4A P35499 1/20 0.35
SCN9A Q15858 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
SCHEMBL5762239 0.86 PIM1 (0.43) PLATALOX5APFEN1CTSLCTSB
SCHEMBL5763518 0.84 ALDH1A1 (0.46) PLATHTR2CHRH1
SCHEMBL5766695 0.84 HTR2C (0.50) PLATHTR2CHRH1PRMT5
SCHEMBL5765485 0.82 ALDH1A1 (0.49) MAOBHRH1
SCHEMBL5764898 0.82 SLC6A2 (0.46) PLATHTR2C
SCHEMBL5764220 0.82 EP300 (0.41) KDM1AHRH1
SCHEMBL5762795 0.80 PLAT (0.40) PLATHTR2CEPHX1CCNA2CDK2
SCHEMBL5764960 0.79 HTR6 (0.43) PLATHTR2CHRH1
SCHEMBL5764610 0.79 HTR2C (0.42) PLATHTR2CKDM1A
SCHEMBL5764366 0.79 GABRA1 (0.47) HRH1CDK2

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 9 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP 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
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 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 (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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 PLAT 3709/4885HTR2C 2915/4885SCN10A 4025/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 PLAT 3959/4885HTR2C 1558/4885SCN10A 2665/4885

“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.