SCHEMBL92138

SCHEMBL92138

CN(c1ccccc1C(F)(F)F)C1CCN(Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SCN1A P35498 4/20 0.36
SCN8A Q9UQD0 4/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RBP4 P02753 1/20 0.34
KMT2A Q03164 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
RORC P51449 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL5183725 0.80 RBP4 (0.48) KDM4ERBP4SLC6A2SLC6A4
SCHEMBL2636975 0.80 RBP4 (0.48) RBP4
SCHEMBL91490 0.78 NOS3 (0.34) NOS3NOS1NOS2SCN1ASCN8A
SCHEMBL83005 0.78 HTR2C (0.53) HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL70546 0.77 HTR2C (0.54) HTR2CSLC6A2SLC6A4
SCHEMBL2636976 0.76 RBP4 (0.47) ALDH1A1RBP4KMT2A
SCHEMBL69603 0.75 MEN1 (0.52) KDM4EKMT2AMEN1
SCHEMBL3174299 0.71 TAS1R3 (0.38) GAATDP1PDE3BPDE3AHTR2C
SCHEMBL5184597 0.71 SCD (0.48)
SCHEMBL1768874 0.68 ACP1 (0.46) GAAKDM4EALDH1A1TDP1RORC

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 3 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
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 NOS3 2753/4885NOS1 3004/4885NOS2 2839/4885

“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.