SCHEMBL19617845

SCHEMBL19617845

CC1CN(c2nc3ccc(F)cc3s2)CC(C)N1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.60
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
NAAA Q02083 6/20 0.50
MAPT P10636 1/20 0.50
PDE10A Q9Y233 1/20 0.49
HCRTR2 O43614 6/20 0.48
HCRTR1 O43613 5/20 0.48
SLC11A2 P49281 1/20 0.45

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
SCHEMBL30345603 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30345490 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23744759 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23744758 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23744366 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL23744375 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30345641 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30345565 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL19617634 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL19617607 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed
CN-109476616-B Piperazinyl methanone NAAA inhibitors 加利福尼亚大学董事会 2023-10-13 CN disclosed
US-10556892-B2 Piperazinyl methanone NAAA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-11 US disclosed
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-06-13 US disclosed
EP-3458447-A1 PIPERAZINYL METHANONE NAAA INHIBITORS The Regents of The University of California (US) 2019-03-27 EP disclosed
WO-2017201103-A1 PIPERAZINYL METHANONE NAAA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 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-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS NAAA, NAA15, NAA50 NPC1 206/4885RAB9A 2086/4885SMN1; SMN2 576/4885
US-10556892-B2 Piperazinyl methanone NAAA inhibitors NAAA, NAA50, NAA15 NPC1 226/4885RAB9A 2425/4885SMN1; SMN2 423/4885

“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.