SCHEMBL1459244

SCHEMBL1459244

O=C(NC1CCCCC1)N1CCN(c2cc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
DGAT1 O75907 1/20 0.37
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 0.85 SMO (0.59) SMOSMN1; SMN2MAPTGFERDGAT1
SCHEMBL14716443 0.84 SMN1; SMN2 (0.42) SMOSMN1; SMN2MAPTGFERDGAT1
SCHEMBL14716247 0.81 SMN1; SMN2 (0.42) SMOSMN1; SMN2RAB9A
SCHEMBL2158209 0.78 SMO (0.61) SMO
Trifluoroacetic Acid SCHEMBL1459243 0.78 SMO (0.63) SMOSMN1; SMN2
SCHEMBL2158490 0.70 SMO (0.52) SMODGAT1CNR1CNR2
SCHEMBL2159047 0.69 SMO (0.55) SMOSMN1; SMN2DGAT1NPSR1
SCHEMBL1458893 0.69 SMO (0.72) SMO
Trifluoroacetic Acid SCHEMBL2158258 0.66 SMO (0.88) SMO
Trifluoroacetic Acid SCHEMBL14716442 0.62 SMO (0.57) SMOSMN1; SMN2MAPTCNR1CNR2

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 4 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
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
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 SMO 2/4885SMN1; SMN2 1155/4885MAPT 260/4885

“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.