SCHEMBL6701592

SCHEMBL6701592

CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
PANK3 Q9H999 5/20 0.46
RET P07949 8/20 0.45
CHRM4 P08173 2/20 0.43
DPP4 P27487 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
SMO Q99835 1/20 0.42
CHRM2 P08172 1/20 0.41

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
SCHEMBL6702989 0.85 RET (0.58) PANK3RETDPP4
SCHEMBL6702674 0.82 RET (0.50) PANK3RETDPP4
SCHEMBL9923372 0.76 AKT1 (0.41)
SCHEMBL7078845 0.76 RET (0.57) PANK3RETCHRM4DPP4
SCHEMBL16430700 0.76 RET (0.57) PANK3RET
SCHEMBL16420447 0.75 CNR1 (0.47) CNR1CNR2DPP4OPRM1
SCHEMBL21520496 0.75 RET (0.57) PANK3RET
SCHEMBL2554955 0.75 AKT1 (0.47) CNR1CNR2
SCHEMBL361749 0.74 AKT1 (0.40)
SCHEMBL16418423 0.74 GRIN2D (0.50) CNR1CNR2OPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 CNR1 4566/4885CNR2 4648/4885PANK3 3024/4885

“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.