SCHEMBL19834820

SCHEMBL19834820

COc1cccc(OC)c1C(=O)N1CCC(C/C=C/CNC(=O)/C=C/c2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL19834847 0.93 NAMPT (0.50) NAMPTCYP3A4CYP2C9DRD2DRD3
SCHEMBL19834857 0.85 NAMPT (0.73) NAMPTCYP3A4CYP2C9DRD2DRD3
SCHEMBL19834825 0.84 NAMPT (0.71) NAMPTCYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL19834761 0.82 NAMPT (0.54) NAMPTCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL19834784 0.81 NAMPT (0.53) NAMPTCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL19834758 0.81 NAMPT (0.57) NAMPTCYP3A4CYP2C9
SCHEMBL19834813 0.78 NAMPT (0.70) NAMPTCYP3A4CYP2C9DRD2DRD3
SCHEMBL19834844 0.78 NAMPT (0.69) NAMPTCYP3A4CYP2C9DRD2DRD3
Hydrochloric Acid SCHEMBL19834763 0.77 NAMPT (0.48) NAMPTCYP3A4CYP2C9KDM4EALDH1A1
SCHEMBL19834852 0.75 NAMPT (0.58) NAMPTCYP3A4CYP2C9DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) 2019-06-20 — — US claimed
EP-3279192-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2018-02-07 — — EP claimed
US-10894785-B2 Piperidine derivatives for use in the treatment of pancreatic cancer CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV 2021-01-19 — — US disclosed
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
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
EP-3279192-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2018-02-07 — — EP disclosed
EP-3279192-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2018-02-07 — — 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 (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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