SCHEMBL5729938

SCHEMBL5729938

O=C1CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MTOR P42345 1/20 0.45
P2RX7 Q99572 2/20 0.44
MLYCD O95822 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TACR1 P25103 5/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13818163 0.89 LMNA (0.51) CCR2POLBLMNAGAANPSR1
SCHEMBL17048568 0.85 P2RX7 (0.47) CCR2POLBLMNAGAANPSR1
SCHEMBL5275905 0.84 CCR2 (0.59) CCR2POLBLMNAGAANPSR1
SCHEMBL17342646 0.82 USP2 (0.56) CCR2POLBLMNAGAANPSR1
SCHEMBL8095243 0.82 ERCC1 (0.55) CCR2POLBLMNAGAANPSR1
SCHEMBL15926383 0.82 LMNA (0.48) CCR2POLBLMNAGAANPSR1
SCHEMBL15844342 0.80 ALDH1A1 (0.54) CCR2POLBLMNAGAANPSR1
Formic Acid SCHEMBL5676537 0.80 CCR2 (0.55) CCR2POLBLMNAGAANPSR1
SCHEMBL15844868 0.79 HTR2C (0.51) CCR2POLBLMNAGAANPSR1
SCHEMBL18882746 0.79 KMT2A (0.46) CCR2POLBLMNAGAANPSR1

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-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP 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 (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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 CCR2 6/4885POLB 3752/4885LMNA 4790/4885

“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.