SCHEMBL885494

SCHEMBL885494

CC1CN(C(=O)c2[nH]c(=O)n(C3CCCCC3)c2-c2ccccc2)C(C)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 8/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
PLD1 Q13393 3/20 0.35
PLD2 O14939 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL885794 0.88 DRD2 (0.40) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL885514 0.84 PLD1 (0.47) DRD2DRD4DRD3ALDH1A1CYP3A4
SCHEMBL2062522 0.84 PLD1 (0.47) DRD2DRD4DRD3ALDH1A1CYP3A4
SCHEMBL2063829 0.84 PLD1 (0.47) DRD2DRD4DRD3ALDH1A1CYP3A4
SCHEMBL885803 0.82 PLD1 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL885518 0.82 GHSR (0.39) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8176192 0.82 OPRM1 (0.40) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL885576 0.80 GHSR (0.39) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL885834 0.79 MEN1 (0.46) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8171261 0.77 SETD7 (0.46)

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 11 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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
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
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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
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 DRD2 2906/4885DRD4 2675/4885DRD3 2112/4885

“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.