SCHEMBL3866433

SCHEMBL3866433

Brc1ccc2c(c1)CCC2N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
SRD5A1 P18405 1/20 0.43
MBTD1 Q05BQ5 3/20 0.40
L3MBTL3 Q96JM7 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL2571280 0.87 SRD5A1 (0.48) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL2572769 0.87 SRD5A1 (0.48) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL2571011 0.87 SRD5A1 (0.48) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL6494545 0.87 CHRNA7 (0.46) CHRNA7OPRM1OPRD1OPRK1
SCHEMBL24570919 0.86 SRD5A1 (0.44) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL13860426 0.86 TAAR1 (0.43) SRD5A1
SCHEMBL22494227 0.86 SRD5A1 (0.41) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL31158034 0.86 SRD5A1 (0.44) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL31151861 0.86 SRD5A1 (0.41) CHRNA7SRD5A1OPRM1OPRD1OPRK1
SCHEMBL30861566 0.86 TAAR1 (0.43) SRD5A1

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
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 CHRNA7 1785/4885SRD5A1 3878/4885MBTD1 167/4885

“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.