SCHEMBL885507

SCHEMBL885507

O=C(c1[nH]c(=O)n(-c2ccccc2)c1-c1cccc(Cl)c1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
TP53 P04637 1/20 0.47
ADRB1 P08588 1/20 0.47
THRB P10828 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
HTT P42858 1/20 0.47
HTR3A P46098 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL885971 0.90 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2063138 0.90 SIGMAR1 (0.49) SIGMAR1HTR1AHTR7RENALDH1A1
SCHEMBL2062757 0.89 SCN5A (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL885490 0.87 REN (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL885460 0.83 REN (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8171808 0.83 MAPT (0.47) TP53PTGS2ALDH1A1MAPTRXFP1
SCHEMBL885458 0.82 REN (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL885435 0.82 MDM2 (0.54) HTTALDH1A1MAPTMDM2PIN1
SCHEMBL2063135 0.82 RXFP1 (0.49) SIGMAR1RENPTGS2ALDH1A1RXFP1
SCHEMBL2063213 0.80 KMO (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CYP1A2 292/4885CYP3A4 168/4885CYP2D6 123/4885

“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.