SCHEMBL5765015

SCHEMBL5765015

Fc1cc(F)cc(Cc2ncc(C3CCNCC3)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
HTR1A P08908 3/20 0.36
CDK9 P50750 2/20 0.36
HTR6 P50406 2/20 0.36
CCNT1 O60563 2/20 0.35
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
KIT P10721 1/20 0.33
USP7 Q93009 1/20 0.32
SLC5A2 P31639 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL5763862 0.87 HTR6 (0.47) SLC6A2SLC6A4SLC6A3HTR1ACDK9
SCHEMBL5764898 0.86 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1ACDK9
SCHEMBL5762079 0.83 NPC1 (0.37) SLC6A2SLC6A4SLC6A3CDK9HTR6
SCHEMBL5765032 0.82 HTR6 (0.45) SLC6A2SLC6A4SLC6A3HTR1ACDK9
SCHEMBL5764366 0.79 GABRA1 (0.47) SLC6A2SLC6A4SLC6A3HTR1AGABRA1
SCHEMBL5766414 0.79 HTR6 (0.47) SLC6A2SLC6A4SLC6A3HTR1ACDK9
Hydrochloric Acid SCHEMBL5763353 0.78 GABRA1 (0.47) SLC6A2SLC6A4SLC6A3HTR1AGABRA1
SCHEMBL5764610 0.77 HTR2C (0.42) SLC6A2SLC6A4HTR6GABRA1KIT
SCHEMBL5764960 0.77 HTR6 (0.43) SLC6A2SLC6A4SLC6A3HTR6SLC5A2
SCHEMBL5764220 0.77 EP300 (0.41) SLC6A2SLC6A4SLC6A3HTR6GABRA1

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-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-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

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 SLC6A2 3939/4885SLC6A4 2303/4885SLC6A3 2186/4885

“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.