SCHEMBL3901396

SCHEMBL3901396

C(#Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)CCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 1.00
GRIN2B Q13224 1/20 0.71

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
SCHEMBL3898911 0.88 HRH3 (1.00) HRH3
SCHEMBL6976178 0.87 GRIN2B (0.83) HRH3GRIN2B
SCHEMBL6976867 0.86 GRIN2B (0.78) HRH3GRIN2B
SCHEMBL6966929 0.85 GRIN2B (0.76) HRH3GRIN2B
SCHEMBL3901600 0.84 HRH3 (1.00) HRH3
SCHEMBL3905061 0.84 HRH3 (1.00) HRH3
SCHEMBL3902545 0.84 HRH3 (1.00) HRH3
SCHEMBL6967753 0.83 GRIN2B (0.78) HRH3GRIN2B
SCHEMBL6970163 0.83 GRIN2B (0.78) HRH3GRIN2B
SCHEMBL6968395 0.83 GRIN2B (1.00) HRH3GRIN2B

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482364-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-01-27 US claimed
US-20080103135-A1 PHENYLALKYNES APODACA RICHARD 2008-05-01 US claimed
EP-1451167-B1 PHENYLALKYNES ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP claimed
EP-1451167-A1 PHENYLALKYNES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-01 EP claimed
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 claimed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO claimed
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
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 (4 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 2/4885GRIN2B 1172/4885
US-20080096876-A1 PHENYLALKYNES HRH2, HRH3, HNMT HRH3 2/4885GRIN2B 1172/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HRH3 1/4885GRIN2B 49/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885GRIN2B 1172/4885

“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.