SCHEMBL3907912

SCHEMBL3907912

CCN(CC)C(=O)C1CCCN(Cc2cccc(C#CCCN3CCCCC3)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
HRH3 Q9Y5N1 7/20 0.64
KDM4E B2RXH2 6/20 0.62
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.57
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.48

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
SCHEMBL5772279 0.87 HRH3 (0.70) HRH3
SCHEMBL5772897 0.85 HRH3 (0.58) ALDH1A1HRH3KDM4E
SCHEMBL13959477 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBRAB9AHTT
SCHEMBL3896005 0.78 HRH3 (0.81) HRH3
SCHEMBL3903480 0.78 HRH3 (1.00) HRH3
SCHEMBL3897106 0.78 HRH3 (1.00) HRH3
SCHEMBL3901865 0.78 HRH3 (1.00) HRH3
SCHEMBL3896019 0.78 HRH3 (1.00) HRH3
SCHEMBL9458760 0.76 KDM4E (0.88) ALDH1A1KDM4EPOLBRAB9AHTT
SCHEMBL3900704 0.76 HRH3 (0.97) HRH3

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 ALDH1A1 207/4885HRH3 2/4885KDM4E 1787/4885
US-20080096876-A1 PHENYLALKYNES HRH2, HRH3, HNMT ALDH1A1 207/4885HRH3 2/4885KDM4E 1787/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 ALDH1A1 1479/4885HRH3 1/4885KDM4E 1122/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT ALDH1A1 207/4885HRH3 2/4885KDM4E 1787/4885

“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.