SCHEMBL1752693

SCHEMBL1752693

C=CCC1[C]c2ccccc2CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.41
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL10390219 0.77 HTR1A (0.37) HTR1A
SCHEMBL9067653 0.77 HTR1A (0.37) HTR1A
SCHEMBL7977539 0.75 GRIN2B (0.43) HTR1ASIGMAR1
SCHEMBL10390238 0.75 HTR1A (0.38) HTR1A
SCHEMBL3433317 0.71 DRD2 (0.36) HTR1ASIGMAR1
SCHEMBL2183528 0.67 PDPK1 (0.37)
SCHEMBL3653495 0.67 PLAU (0.41)
SCHEMBL1383876 0.67 ANPEP (0.39)
SCHEMBL6429735 0.67 CYP19A1 (0.50) HTR1ASIGMAR1
SCHEMBL3100368 0.67 HTR1A (0.55) HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154216-A1 Novel enantiomeric compounds for treatment of cardiac arrhythmias and methods of use ARYX THERAPEUTICS 2005-07-14 US claimed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20080280834-A1 Compounds and methods for inhibiting apoptosis UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-11-13 US disclosed
EP-1963364-A2 COMPOUNDS AND METHODS FOR INHIBITING APOPTOSIS University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2008-09-03 EP disclosed
WO-2007064997-A2 COMPOUNDS AND METHODS FOR INHIBITING APOPTOSIS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-06-07 WO disclosed
EP-1773766-A2 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2007-04-18 EP disclosed
WO-2006020060-A2 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2006-02-23 WO disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 US 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 (8 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HTR1A 4465/4885SIGMAR1 4356/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 HTR1A 4474/4885SIGMAR1 4376/4885
US-20080280834-A1 Compounds and methods for inhibiting apoptosis BAX, CASP3, BCL2 HTR1A 2622/4885SIGMAR1 4655/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HTR1A 4465/4885SIGMAR1 4356/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HTR1A 4419/4885SIGMAR1 4357/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 HTR1A 4419/4885SIGMAR1 4357/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HTR1A 4419/4885SIGMAR1 4357/4885
US-20050154216-A1 Novel enantiomeric compounds for treatment of cardiac arrhythmias and methods of use RYR2, KCNN2, KCNH2 HTR1A 2535/4885SIGMAR1 2651/4885

“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.