SCHEMBL3902848

SCHEMBL3902848

O=Cc1cccc(C#CCCN2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.64

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
SCHEMBL3896583 0.88 HRH3 (0.61) HRH3
SCHEMBL3902370 0.87 HRH3 (0.49) HRH3
SCHEMBL3910783 0.83 HRH3 (0.65) HRH3
SCHEMBL9700204 0.80 HRH3 (0.52) HRH3
SCHEMBL3901865 0.78 HRH3 (1.00) HRH3
SCHEMBL3897106 0.78 HRH3 (1.00) HRH3
SCHEMBL3896019 0.78 HRH3 (1.00) HRH3
SCHEMBL3900704 0.77 HRH3 (0.97) HRH3
SCHEMBL30688451 0.75 FFAR1 (0.50)
SCHEMBL3899508 0.75 FFAR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482364-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-01-27 US disclosed
US-7482364-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-01-27 US disclosed
US-7446104-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-04 US disclosed
US-7446104-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-04 US disclosed
US-20080103135-A1 PHENYLALKYNES APODACA RICHARD 2008-05-01 US disclosed
US-20080103135-A1 PHENYLALKYNES APODACA RICHARD 2008-05-01 US disclosed
US-20080096876-A1 PHENYLALKYNES APODACA RICHARD 2008-04-24 US disclosed
US-20080096876-A1 PHENYLALKYNES APODACA RICHARD 2008-04-24 US disclosed
US-7288540-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-10-30 US disclosed
US-7288540-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-10-30 US disclosed
US-20070072837-A1 Phenylalkynes APODACA RICHARD 2007-03-29 US disclosed
US-20070072837-A1 Phenylalkynes APODACA RICHARD 2007-03-29 US disclosed
US-20060258859-A1 Phenylalkynes APODACA RICHARD 2006-11-16 US disclosed
EP-1567494-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2005-08-31 EP disclosed
US-6884803-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-04-26 US disclosed
EP-1451167-A1 PHENYLALKYNES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-01 EP disclosed
WO-2004050623-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20040002604-A1 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-01 US disclosed
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 US disclosed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (6 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-20080103135-A1 PHENYLALKYNES HRH2, HRH3, HNMT HRH3 2/4885
US-20060258859-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885
US-20070072837-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885
US-20080096876-A1 PHENYLALKYNES HRH2, HRH3, HNMT HRH3 2/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HRH3 1/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885

“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.