SCHEMBL19851943

SCHEMBL19851943

COc1cc(C=O)cc(OC)c1C(=O)N1CCC(CCCCNC(=O)/C=C/c2cccnc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ BCHE P06276 7/20 0.42
▸ ACHE P22303 7/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL19834830 0.92 NAMPT (0.51) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19851922 0.91 NAMPT (0.48) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19834844 0.85 NAMPT (0.69) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19842196 0.82 NAMPT (0.53) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19851883 0.82 NAMPT (0.69) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19834853 0.81 NAMPT (0.47) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19842221 0.81 NAMPT (0.48) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19834823 0.80 NAMPT (0.46) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19842220 0.80 NAMPT (0.49) NAMPTCYP3A4CYP2C9
SCHEMBL19834878 0.79 NAMPT (0.52) NAMPTCYP3A4CYP2C9BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV 2021-01-19 — — US disclosed
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2019-06-20 — — US disclosed
WO-2018024907-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2018-02-08 — — 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 (2 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-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer RNASE1, PKD1, GPR6 NAMPT 1437/4885CYP3A4 2988/4885CYP2C9 4330/4885
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER RNASE1, PKD1, GPR6 NAMPT 1265/4885CYP3A4 2393/4885CYP2C9 4227/4885

“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.

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