SCHEMBL3766741

SCHEMBL3766741

NCC(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.65
KDM4E B2RXH2 12/20 0.65
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
TSHR P16473 2/20 0.61
TDP1 Q9NUW8 5/20 0.61
NPSR1 Q6W5P4 4/20 0.61
ATM Q13315 3/20 0.61
GAA P10253 1/20 0.61
ALOX15 P16050 2/20 0.58
MAPT P10636 1/20 0.58
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.54
SCD O00767 1/20 0.54
HPGD P15428 1/20 0.51

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
SCHEMBL2938460 0.85 KDM4E (0.74) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL3766736 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL3456878 0.81 EPHX2 (0.71) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL28864313 0.81 ALDH1A1 (0.95) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL9322344 0.79 KDM4E (0.68) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL28864301 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL1221946 0.78 CYP2C9 (0.57) SCD
SCHEMBL221964 0.77 KDM4E (0.56) ALDH1A1KDM4EKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL1221556 0.77 CYP2C9 (0.56) SCD
SCHEMBL31669175 0.76 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AMEN1TSHR

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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885KDM4E 434/4885KMT2A 1389/4885

“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.