SCHEMBL92443

SCHEMBL92443

O=C(NCC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1)C1=NOC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.52
POLB P06746 1/20 0.44
CCR2 P41597 4/20 0.42
RBP4 P02753 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL92558 0.87 KMT2A (0.46) SCDCCR2SMN1; SMN2
SCHEMBL92583 0.87 SMN1; SMN2 (0.39) SCDPOLBCCR2SMN1; SMN2
SCHEMBL13983846 0.85 SCD (0.47) SCD
SCHEMBL69750 0.78 SCD (0.56) SCDPOLBCCR2RBP4SMN1; SMN2
SCHEMBL29381924 0.78 SCD (0.56) SCDPOLBCCR2RBP4SMN1; SMN2
SCHEMBL68730 0.77 SCD5 (0.53) SCDPOLBSMN1; SMN2
SCHEMBL29384705 0.77 SCD5 (0.53) SCDPOLBSMN1; SMN2
SCHEMBL70026 0.77 SCD (0.54) SCDPOLBCCR2RBP4SMN1; SMN2
SCHEMBL91497 0.76 SCD (0.51) SCDSMN1; SMN2
SCHEMBL92437 0.75 CCR2 (0.40) CCR2SMN1; SMN2

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885POLB 1727/4885CCR2 1423/4885

“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.