SCHEMBL1458906

SCHEMBL1458906

CN(C(=O)N1CCN(c2nc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)cs2)CC1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
FAAH O00519 3/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
AR P10275 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL1460137 0.87 CNR2 (0.41) RAB9ANPC1FAAHCCR2
SCHEMBL14716443 0.79 SMN1; SMN2 (0.42) RAB9AALDH1A1HSD17B10FAAHLMNA
Trifluoroacetic Acid SCHEMBL1458902 0.79 RAB9A (0.48) RAB9ANPC1ALDH1A1HSD17B10FAAH
Trifluoroacetic Acid SCHEMBL1460134 0.69 CNR2 (0.46) RAB9ANPC1FAAH
SCHEMBL14716247 0.65 SMN1; SMN2 (0.42) RAB9ANPC1FAAHSMN1; SMN2
SCHEMBL2158262 0.64 SMO (0.59) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL11071836 0.61 RAB9A (1.00) RAB9ANPC1ALDH1A1HSD17B10FAAH
SCHEMBL11068640 0.60 RAB9A (0.78) RAB9ANPC1ALDH1A1HSD17B10FAAH
SCHEMBL11065477 0.59 RAB9A (0.80) RAB9ANPC1ALDH1A1HSD17B10FAAH
SCHEMBL19012451 0.59 MAPT (0.41) SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1472/4885NPC1 2969/4885ALDH1A1 876/4885

“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.