SCHEMBL8984029

SCHEMBL8984029

C1=C(CCc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
DRD2 P14416 4/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTT P42858 1/20 0.47
CCR3 P51677 1/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 3/20 0.46
MC4R P32245 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL7868181 0.90 CCR3 (0.51) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL4237159 0.88 S1PR1 (0.47) DRD2DRD4DRD3S1PR1S1PR5
SCHEMBL1588025 0.87 SIGMAR1 (0.47) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL5242533 0.85 SLC6A4 (0.53) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL6263887 0.85 SIGMAR1 (0.52) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL5230749 0.84 SIGMAR1 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL13596992 0.84 SIGMAR1 (0.44) SIGMAR1DRD2HTR1AHTR2AHTT
Hydrochloric Acid SCHEMBL23882203 0.83 DRD2 (0.50) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL325460 0.83 SIGMAR1 (0.50) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL23063982 0.83 SIGMAR1 (0.50) SIGMAR1DRD2HTR1AHTR2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 US disclosed
EP-2785715-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS Aurigene Discovery Technologies Limited (IN) 2014-10-08 EP disclosed
WO-2013080222-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2013-06-06 WO disclosed
US-5554752-A SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-09-10 US disclosed
US-5457207-A Anticholinergic agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-10-10 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO disclosed
US-4169200-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-09-25 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 (1 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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 SIGMAR1 1878/4885DRD2 2785/4885HTR1A 3891/4885

“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.