SCHEMBL5820159

SCHEMBL5820159

CCCCCCCCC1(O)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
GNAI3 P08754 7/20 0.38
GNAO1 P09471 7/20 0.38
GNAI1 P63096 7/20 0.38
GAA P10253 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
SCHEMBL5280131 0.98 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1GNAI3
SCHEMBL3026785 0.91 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1GNAI3
SCHEMBL3262549 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1GNAI3
SCHEMBL17731291 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL1868334 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17607210 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17607279 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17730835 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4437885 0.82
SCHEMBL9714974 0.81 CYP4F2 (0.34)

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 21 patents — showing the first 20. 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-6489354-B1 IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA MERCK & CO., INC. 2002-12-03 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
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
US-6372764-B1 ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT MERCK & CO., INC. 2002-04-16 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6362201-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS MERCK & CO., INC. 2002-03-26 US disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051607-A1 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051609-A1 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051610-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 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 (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 OPRM1 48/4885OPRD1 53/4885OPRK1 73/4885

“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.