SCHEMBL885863

SCHEMBL885863

O=C(O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCCC3)c2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FASN P49327 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2063353 0.90 SIGMAR1 (0.44) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL4786266 0.88 PIM1 (0.43) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL884432 0.87 PARP1 (0.41) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL4787409 0.86 HTR2A (0.39) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL8163754 0.85 OPRM1 (0.49) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL885576 0.85 GHSR (0.39) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL885518 0.85 GHSR (0.39) MAPK1ALDH1A1KDM4EPOLBDRD2
SCHEMBL885834 0.84 MEN1 (0.46) MAPK1ALDH1A1POLBDRD2DRD4
SCHEMBL885803 0.83 PLD1 (0.44) MAPK1ALDH1A1POLBDRD2DRD4
SCHEMBL2062522 0.83 PLD1 (0.47) MAPK1ALDH1A1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 864/4885ALDH1A1 947/4885KDM4E 2733/4885

“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.