Cyclohexane Carboxamide

Cyclohexane Carboxamide

SCHEMBL3243755

NC(=O)C1CCCCC1.c1ccc2[nH]ccc2c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
AHR P35869 1/20 0.53
ADK P55263 1/20 0.53
RXFP2 Q8WXD0 1/20 0.45
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.40
VCP P55072 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
JAK3 P52333 1/20 0.40

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
Indole SCHEMBL3720161 0.92 TRPA1 (0.59) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL5205084 0.81 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL27631042 0.81 TRPA1 (0.74) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL384964 0.79 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29160563 0.79 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL712897 0.78 TRPA1 (0.68) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL29116462 0.78 TRPA1 (0.57) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL1173439 0.77 AHR (0.90) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL28594059 0.77 AHR (0.90) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL6626472 0.77 AHR (0.90) TRPA1CA1CA2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed
US-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. LES LABORATOIRES SERVIER (FR) 2010-04-29 US disclosed
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds LES LABORATOIRES SERVIER (FR) 2009-10-15 US disclosed
EP-2102209-A2 NOVEL TRIAZABENZO[A]NAPHTHO[2,L,8-CDE]AZULENE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
EP-2102204-A1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Les Laboratoires Servier (FR) 2009-09-23 EP disclosed
WO-2009106753-A1 NOVEL DERIVATIVES OF 1H-INDOL-1-YL UREA, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-09-03 WO disclosed
EP-2078716-A1 New derivatives of 1H-indol-1-yl-urea, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-07-15 EP disclosed
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS LES LABORATOIRES SERVIER (FR) 2009-07-09 US disclosed
CN-101475560-A New 1H-indol-1-yl-urea compounds, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-07-08 CN disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN disclosed
WO-2008099081-A2 NOVEL TRIAZABENZO[Α]NAPHTHO[2,L,8-CDE]AZULENE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2008-08-21 WO disclosed
WO-2008099082-A1 NEW AMINOPYRROLO[1,2-Α]INDOLE ET AMINOPYRIDAZINO[1,6-Α]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2008-08-21 WO disclosed
EP-1931341-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXALASE TYROSINE INDUCERS Les Laboratoires Servier (FR) 2008-06-18 EP disclosed
WO-2007006922-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXYLASE TYROSINE INDUCERS LES LABORATOIRES SERVIER (FR) 2007-01-18 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 (3 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-20100105666-A1 TRIAZABENZO (A)NAPHTHO(2,1,8-CDE) AZULENE COMPOUNDS. NR1I2, NR2E1, NR0B2 TRPA1 999/4885CA1 1664/4885CA2 1187/4885
US-20090176794-A1 1H-INDOL-1-YL-UREA COMPOUNDS TPH1, HTR1D, IDO1 TRPA1 2416/4885CA1 3071/4885CA2 4025/4885
US-20090258883-A1 1H-Indole-Pyridinecarboxamide and 1H-Indole-Piperidinecarboxamide Compounds IDO1, AHR, IDO2 TRPA1 409/4885CA1 1202/4885CA2 398/4885

“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.