SCHEMBL3757745

SCHEMBL3757745

Cc1ccccc1C(=O)N1CCN(C(=O)CN)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.69
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
CCR6 P51684 1/20 0.52
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.49
HSD11B1 P28845 1/20 0.48
MGLL Q99685 1/20 0.48
GBA1 P04062 2/20 0.47

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
SCHEMBL10722320 0.87 HTT (0.89) HTTALDH1A1MAPTNPSR1CYP2C9
SCHEMBL3760554 0.84 TSHR (0.49) HTTALDH1A1MAPTUSP2TSHR
SCHEMBL2740472 0.83 HTT (0.67) HTTALDH1A1MAPTNPSR1CYP2C9
SCHEMBL3762963 0.83 CA12 (0.56) HTTALDH1A1USP2TSHRHSD11B1
SCHEMBL3759197 0.83 RAB9A (0.49) HTTALDH1A1MAPTHPGDUSP2
SCHEMBL3753875 0.82 LMNA (0.49) HTTALDH1A1MAPTHPGDTSHR
SCHEMBL14825166 0.82 HTT (1.00) HTTALDH1A1MAPTNPSR1CYP2C9
SCHEMBL3753422 0.81 TSHR (0.68) HTTALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL3762764 0.81 RAB9A (0.68) HTTALDH1A1CYP2C9CYP2C19HTR2B
SCHEMBL3764910 0.81 ALDH1A1 (0.61) HTTALDH1A1MAPTNPSR1HPGD

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 HTT 3358/4885ALDH1A1 969/4885MAPT 3595/4885

“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.