SCHEMBL71492

SCHEMBL71492

O=C(ONN1CCC(Oc2ccccc2Br)CC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.43
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR4 P31391 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
SCHEMBL69694 0.83 SCD (0.44) SCDEPHX2KDM4EMAPTLMNA
Trifluoroacetic Acid SCHEMBL71491 0.77 SCD (0.44) SCDEPHX2KDM4EMAPTLMNA
SCHEMBL5425887 0.74 SCD (0.45) SCDEPHX2KDM4EMAPTLMNA
SCHEMBL5425895 0.74 SCD (0.45) SCDEPHX2KDM4EMAPTLMNA
SCHEMBL2637126 0.71 SCD (0.49) SCDEPHX2KDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL69693 0.71 HRH1 (0.51)
SCHEMBL5371391 0.70 MAPT (0.42) SCDKDM4EMAPTLMNANPSR1
SCHEMBL5371393 0.70 MAPT (0.42) SCDKDM4EMAPTLMNANPSR1
SCHEMBL2637684 0.69 SCD (0.47) SCDEPHX2
SCHEMBL69206 0.69 KDM1A (0.56) SCDKDM4E

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO 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 1/4885EPHX2 1023/4885KDM4E 375/4885

“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.