SCHEMBL1090652

SCHEMBL1090652

[c]1ncc(Cc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CALM1 P0DP23 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
AOC3 Q16853 1/20 0.38
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SORT1 Q99523 1/20 0.37
NPC1 O15118 4/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 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
SCHEMBL6237322 0.81 L3MBTL1 (0.40) ALDH1A1HPGDAOC3SMN1; SMN2L3MBTL1
SCHEMBL2093652 0.81 EPHX2 (0.49) LMNATAAR1HRH3ALDH1A1RAB9A
SCHEMBL1822061 0.79 HTR2A (0.41) HRH3AOC3
SCHEMBL499957 0.76 AOC3 (0.47) TAAR1ALDH1A1AOC3MEN1KMT2A
SCHEMBL1411957 0.74 CFTR (0.44) LMNATAAR1ALDH1A1HPGDAOC3
SCHEMBL1091848 0.68 KMT2A (0.48) LMNATAAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL696711 0.67 CALM1 (0.46) LMNACALM1TAAR1HRH3ALDH1A1
SCHEMBL27968331 0.66 CALM1 (0.58) LMNACALM1ALDH1A1HPGDRAB9A
SCHEMBL8195591 0.66 CALM1 (0.57) LMNACALM1TAAR1HRH3ALDH1A1
SCHEMBL9389496 0.65 SLC6A3 (0.49) LMNACALM1TDP1LTA4H

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751095-B1 SUBSTITUTED CYCLOHEXYLCARBOXYLIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2014-06-18 EP claimed
JP-4688381-B2 2011-05-25 JP claimed
WO-2010135427-A2 TRIOXANE MONOMERS AND DIMERS THE JOHNS HOPKINS UNIVERSITY (US) 2010-11-25 WO claimed
US-7241802-B2 Substituted cyclohexylcarboxylic acid amide compounds GRUENENTHAL GMBH (DE) 2007-07-10 US claimed
US-20070105941-A1 Substituted cyclohexylcarboxylic acid amide compounds GRUENENTHAL GMBH (DE) 2007-05-10 US claimed
EP-1192133-B1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP claimed
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 claimed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US claimed
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 claimed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP claimed
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 claimed
WO-2000076511-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO claimed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO claimed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO claimed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
WO-2021061823-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2021-04-01 WO disclosed
WO-2020264581-A1 BORON CONTAINING COMPOUNDS AND THEIR USES Boragen, Inc. (US) 2020-12-30 WO disclosed
EP-0478974-B1 N-Heteroaryl-2-nitroanilines BASF AG (DE) 1995-12-27 EP disclosed
US-5298515-A N-hetaryl-2-nitroanilines BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0478974-A1 N-Heteroaryl-2-nitroanilines BASF Aktiengesellschaft (DE) 1992-04-08 EP 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-20070105941-A1 Substituted cyclohexylcarboxylic acid amide compounds OPRL1, OPRK1, HCAR1 LMNA 2573/4885CALM1 406/4885TAAR1 58/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 LMNA 4563/4885CALM1 4008/4885TAAR1 261/4885

“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.