SCHEMBL19834819

SCHEMBL19834819

[N-]=[N+]=NCCCCC1CCN(C(=O)c2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ PABPC1 P11940 2/20 0.46
▸ EIF4H Q15056 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ TSHR P16473 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
SCHEMBL25235675 0.92 SMN1; SMN2 (0.48) GAAALDH1A1PABPC1EIF4HMAPT
SCHEMBL19834778 0.82 GAA (0.55) GAAALDH1A1PABPC1EIF4HMAPT
SCHEMBL19834771 0.81 HDAC3 (0.59) L3MBTL1
SCHEMBL12676716 0.78 GAA (0.59) GAAALDH1A1PABPC1EIF4HMAPT
SCHEMBL19834786 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19834875 0.76 CYP2C9 (0.47) GAAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25273247 0.74 SMN1; SMN2 (0.53) GAAALDH1A1PABPC1EIF4HMAPT
SCHEMBL25278094 0.74 SMN1; SMN2 (0.53) GAAALDH1A1PABPC1EIF4HMAPT
SCHEMBL25277190 0.74 HDAC3 (0.50) L3MBTL1
SCHEMBL21103101 0.73 EPHX2 (0.35) HTT

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-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
EP-3494111-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER Centre Hospitalier Universitaire Vaudois (CHUV) (CH) 2019-06-12 — — EP 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
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 GAA 4054/4885ALDH1A1 193/4885PABPC1 855/4885
US-20190185452-A1 PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER RNASE1, PKD1, GPR6 GAA 4016/4885ALDH1A1 203/4885PABPC1 893/4885

“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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