SCHEMBL1460137

SCHEMBL1460137

CN(C(=O)N1CCN(c2nc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)ns2)CC1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 14/20 0.35
CCR2 P41597 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL1458906 0.87 RAB9A (0.42) NPC1RAB9AFAAHCCR2
SCHEMBL14716247 0.79 SMN1; SMN2 (0.42) NPC1RAB9AFAAH
Trifluoroacetic Acid SCHEMBL1460134 0.78 CNR2 (0.46) CNR2NPC1RAB9AFAAH
Trifluoroacetic Acid SCHEMBL1458902 0.68 RAB9A (0.48) NPC1RAB9AFAAH
SCHEMBL2158262 0.67 SMO (0.59)
SCHEMBL14716443 0.65 SMN1; SMN2 (0.42) CNR2RAB9AFAAH
SCHEMBL19012451 0.59 MAPT (0.41)
SCHEMBL3084495 0.59 CNR2 (1.00) CNR2NPC1RAB9AFAAHDPP4
SCHEMBL19012442 0.58 MAPT (0.45)
SCHEMBL3768360 0.56 NPC1 (0.70) NPC1RAB9AFAAH

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
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
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP claimed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 WO 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
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 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 (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 CNR2 1125/4885NPC1 2969/4885RAB9A 1472/4885

“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.