SCHEMBL3900751

SCHEMBL3900751

CN(CCc1c[nH]c2ccccc12)Cc1cccc(C#CCCN2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
HTR2A P28223 2/20 0.47
BCHE P06276 2/20 0.45
HTR1A P08908 2/20 0.44
HTR6 P50406 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ACHE P22303 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13959092 0.85 HTR2A (0.57) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL3897306 0.78 HRH3 (0.58) HRH3KDM4ESIGMAR1
SCHEMBL25175300 0.78 KMT2A (0.54) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL3900324 0.76 HRH3 (0.58) HRH3KMT2AKDM4ESIGMAR1
Hydrochloric Acid SCHEMBL7259033 0.75 HTR1A (0.61) HTR2ABCHEHTR1ALMNAHTT
SCHEMBL25175301 0.73 HTR1A (0.58) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL25172857 0.73 LMNA (0.76) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL25169578 0.72 CDK4 (0.60) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL30392460 0.72 KMT2A (0.60) HTR2ABCHEHTR1AHTR6KMT2A
SCHEMBL25168385 0.72 KMT2A (0.60) HTR2ABCHEHTR1AHTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7288540-B2 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-10-30 US disclosed
EP-1451167-B1 PHENYLALKYNES ORTHO MCNEIL PHARM INC (US) 2006-03-08 EP 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 2/4885HTR2A 98/4885BCHE 189/4885
US-20080096876-A1 PHENYLALKYNES HRH2, HRH3, HNMT HRH3 2/4885HTR2A 98/4885BCHE 189/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HRH3 1/4885HTR2A 24/4885BCHE 23/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HRH3 2/4885HTR2A 98/4885BCHE 189/4885

“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.