SCHEMBL19834824

SCHEMBL19834824

O=C(/C=C/c1ccc(F)nc1F)NCCCCC1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ BCHE P06276 4/20 0.41
▸ ACHE P22303 4/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 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
SCHEMBL19851958 0.93 NAMPT (0.47) NAMPTCYP3A4CYP2C9POLBALDH1A1
SCHEMBL19834837 0.86 NAMPT (0.65) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19851957 0.85 NAMPT (0.48) NAMPTCYP3A4CYP2C9POLBALDH1A1
SCHEMBL19834861 0.83 NAMPT (0.48) NAMPTCYP3A4CYP2C9ALDH1A1BCHE
SCHEMBL19834853 0.83 NAMPT (0.47) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19834870 0.81 NAMPT (0.60) NAMPTCYP3A4CYP2C9POLBALDH1A1
SCHEMBL19851924 0.76 NAMPT (0.47) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19851883 0.74 NAMPT (0.69) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19842196 0.73 NAMPT (0.53) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL19834830 0.72 NAMPT (0.51) NAMPTCYP3A4CYP2C9ALDH1A1BCHE

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 7 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
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
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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