SCHEMBL14451981

SCHEMBL14451981

CNC(CN1CCCC1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
SLC6A2 P23975 12/20 0.46
SLC6A3 Q01959 12/20 0.46
SLC6A4 P31645 7/20 0.46
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL14438399 0.87 RPS6KB1 (0.46) RPS6KB1AKT1AURKBINCENPSLC6A2
SCHEMBL14438353 0.87 RPS6KB1 (0.46) RPS6KB1AKT1AURKBINCENPSLC6A2
SCHEMBL16419143 0.84 HRH3 (0.45) OPRK1
SCHEMBL18211049 0.84 HRH3 (0.45) OPRK1
SCHEMBL9510114 0.82 SMN1; SMN2 (0.38) RPS6KB1AKT1AURKBINCENPOPRK1
SCHEMBL9457954 0.82 OPRK1 (0.46) RPS6KB1AKT1AURKBINCENPOPRK1
SCHEMBL28163310 0.82 SMN1; SMN2 (0.45)
SCHEMBL2947193 0.82 SMN1; SMN2 (0.45)
SCHEMBL9511233 0.82 SMN1; SMN2 (0.38) RPS6KB1AKT1AURKBINCENPOPRK1
SCHEMBL28163316 0.82 RPS6KB1 (0.49) RPS6KB1AKT1AURKBINCENPSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 RPS6KB1 3581/4885AKT1 3640/4885AURKB 4367/4885

“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.