SCHEMBL1078460

SCHEMBL1078460

CCCCCN1[CH]COCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL6508630 0.94 ALDH1A1 (0.38) SIGMAR1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL151371 0.86
SCHEMBL1081166 0.69 ALDH1A1 (0.36) ALDH1A1CYP1A2GNAI3GNAO1GNAI1
SCHEMBL40487 0.69 ALDH1A1 (0.59) SIGMAR1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL5251269 0.69 ALDH1A1 (0.59) SIGMAR1MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL1168662 0.68 LTA4H (0.35) ALDH1A1CYP1A2GNAI3GNAO1GNAI1
SCHEMBL294888 0.68 GNAI3 (0.38) SIGMAR1ALDH1A1CYP1A2LMNAGNAI3
SCHEMBL9167013 0.68 GNAI3 (0.38) SIGMAR1ALDH1A1CYP1A2LMNAGNAI3
SCHEMBL29082796 0.68
Hexane SCHEMBL28369310 0.68 GNAI3 (0.45) SIGMAR1MAPK1ALDH1A1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP claimed
JP-4613157-B2 2011-01-12 JP claimed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP claimed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US claimed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US claimed
JP-2006515884-A 2006-06-08 JP claimed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP claimed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US claimed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 WO claimed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 US disclosed
US-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 US disclosed
US-7538223-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-05-26 US disclosed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 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-20090324511-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885MAPK1 3402/4885ALDH1A1 4381/4885
US-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 SIGMAR1 3718/4885MAPK1 3386/4885ALDH1A1 4359/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885MAPK1 3402/4885ALDH1A1 4381/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 SIGMAR1 3801/4885MAPK1 3402/4885ALDH1A1 4381/4885

“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.