SCHEMBL5659592

SCHEMBL5659592

Cc1ccccc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
GHSR Q92847 1/20 0.49
BRD4 O60885 1/20 0.48
CTSD P07339 1/20 0.46
BACE1 P56817 1/20 0.46
CREBBP Q92793 1/20 0.46
BRAF P15056 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
AHR P35869 4/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL22178774 0.86 NPC1 (0.61) TRPA1BRD4CTSDBACE1BRAF
SCHEMBL31504070 0.86 NPC1 (0.61) TRPA1BRD4CTSDBACE1BRAF
SCHEMBL28278821 0.79 AHR (0.52) TRPA1GHSRBRD4CREBBPBRAF
SCHEMBL5662434 0.79 GUSB (0.54) TRPA1GHSRBACE1CREBBPADORA2A
SCHEMBL27489252 0.79 ESR2 (0.54) TRPA1GHSRCREBBPADORA2AADORA1
SCHEMBL7091089 0.79 AHR (0.52) TRPA1GHSRBACE1CREBBPBRAF
SCHEMBL7088269 0.79 GHSR (0.53) GHSRCREBBPAHRMEN1POLB
SCHEMBL27561669 0.79 BRD4 (0.50) BRD4CREBBPBRAFADORA2AADORA1
SCHEMBL8995170 0.78 PIK3CD (0.51) TRPA1BRD4CREBBPBRAFADORA2A
SCHEMBL30494121 0.78 CCNC (0.56) BRD4BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047871-B Preparation method of indole compound 南京大学 2022-06-21 CN disclosed
CN-112047871-A Preparation method of indole compound 南京大学 2020-12-08 CN disclosed
CN-109575033-A The method of level-one amine guiding building 6- (2- aminomethyl phenyl) indoles simultaneously [1,2-a] quinoxaline 桂林理工大学 2019-04-05 CN disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R TRPA1 580/4885GHSR 50/4885BRD4 3112/4885

“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.