SCHEMBL5763261

SCHEMBL5763261

Cc1nc(Cc2ccc([N+](=O)[O-])cc2)sc1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 4/20 0.39
USP21 Q9UK80 3/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
ENPP1 P22413 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
SCHEMBL5764775 0.88 CCR5 (0.37) RAB9AMEN1KMT2AMAPTKCNJ1
SCHEMBL5766073 0.83 HTR6 (0.40) MEN1KMT2AKCNH2HTTGABRA1
SCHEMBL5764861 0.82 PTGS2 (0.40) GABRA1GABRG2GABRB3
SCHEMBL5763769 0.82 PLAT (0.41) MEN1KMT2AMAPTLMNAGABRA1
SCHEMBL5766275 0.82 HTR6 (0.46) RAB9AMEN1KMT2AKCNH2POLB
SCHEMBL5762609 0.81 GABRA1 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL5765809 0.80 GABRA1 (0.49) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL5763669 0.80 HTR1D (0.40) RAB9AMEN1KMT2AMAPTGABRA1
SCHEMBL5762096 0.80 ALDH1A1 (0.44) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL5765554 0.80 SLC6A2 (0.40) MEN1KMT2AKCNH2USP21GABRA1

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 8 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
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 (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 RAB9A 1266/4885MEN1 4363/4885KMT2A 4787/4885

“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.