SCHEMBL14716247

SCHEMBL14716247

O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)ns2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 12/20 0.41
SMO Q99835 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2158262 0.86 SMO (0.59) SMN1; SMN2SMO
SCHEMBL14716443 0.86 SMN1; SMN2 (0.42) SMN1; SMN2FAAHSMORAB9A
SCHEMBL1459244 0.81 SMO (0.46) SMN1; SMN2SMORAB9A
SCHEMBL1460137 0.79 CNR2 (0.41) FAAHNPC1RAB9A
SCHEMBL2158209 0.79 SMO (0.61) FAAHSMO
Trifluoroacetic Acid SCHEMBL14716245 0.77 SMO (0.61) SMN1; SMN2FAAHSMONPC1RAB9A
SCHEMBL14716258 0.67 SMO (0.69) FAAHSMONPC1RAB9A
SCHEMBL3769466 0.67 FAAH (0.61) FAAHNPC1RAB9A
Trifluoroacetic Acid SCHEMBL14716442 0.66 SMO (0.57) SMN1; SMN2SMO
SCHEMBL2159047 0.65 SMO (0.55) SMN1; SMN2SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US claimed
US-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US 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 (1 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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMN1; SMN2 1155/4885FAAH 4026/4885SMO 2/4885

“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.