SCHEMBL2362765

SCHEMBL2362765

O=C1c2ccccc2C(=O)N1CCCN1CCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.68
MAOB P27338 3/20 0.66
ACHE P22303 1/20 0.61
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL5824979 1.00 HTR1A (0.68) HTR1AMAOBACHEDRD2DRD3
SCHEMBL1569172 0.98 HTR1A (0.69) HTR1AMAOBDRD2DRD3
SCHEMBL12124720 0.97 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL3174057 0.97 HTR1A (0.68) HTR1AMAOBDRD2DRD3
SCHEMBL8554502 0.95 HTR1A (0.68) HTR1AMAOB
SCHEMBL6339624 0.95 HTR1A (0.69) HTR1AMAOBDRD2DRD3
SCHEMBL2687983 0.93 HTR1A (0.70) HTR1AMAOB
SCHEMBL8557005 0.93 HTR1A (0.70) HTR1AMAOB
SCHEMBL13469510 0.91 HTR1A (0.79) HTR1AMAOBDRD2DRD3
SCHEMBL29097638 0.89 ALDH1A1 (0.69) HTR1AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135672-B9 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-05-20 EP disclosed
EP-3135672-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-02-19 EP disclosed
EP-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 EP disclosed
EP-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 EP disclosed
EP-2356109-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2016-12-07 EP disclosed
EP-2356109-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2016-12-07 EP disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US disclosed
EP-2356109-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2011-08-17 EP disclosed
WO-2010042925-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2010-04-15 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-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES PRKCH, PRKCG, PRKCQ HTR1A 906/4885MAOB 1224/4885ACHE 74/4885

“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.