SCHEMBL4486583

SCHEMBL4486583

C=C1CCC(C)(C(=O)OC)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9043939 0.88 FFAR3 (0.36) NPSR1LMNAATMMEN1KMT2A
SCHEMBL4989618 0.78 FFAR3 (0.48)
SCHEMBL15768495 0.77 MEN1 (0.35) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL17106402 0.77 MEN1 (0.35) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3880676 0.74 FFAR3 (0.37) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL283125 0.73
SCHEMBL8175853 0.73 FFAR3 (0.50) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25616533 0.73 FFAR3 (0.50) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25616531 0.73 FFAR3 (0.50) NPSR1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5728819 0.73 CYP4F2 (0.36) NPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
EP-1558599-A4 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-06-27 EP disclosed
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
US-20050250781-A1 Heterarylpiperidine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-11-10 US disclosed
EP-1558599-A2 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
WO-2004041777-A2 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 NPSR1 167/4885LMNA 4790/4885ATM 4646/4885
US-20050250781-A1 Heterarylpiperidine modulators of chemokine receptor activity CCR1, CCR2, CCRL2 NPSR1 90/4885LMNA 4865/4885ATM 4530/4885

“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.