SCHEMBL3759197

SCHEMBL3759197

NCC(=O)N1CCN(C(=O)c2ccccc2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MGLL Q99685 2/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
BLM P54132 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL31347868 0.86 MEN1 (0.61) RAB9AMEN1KMT2AMGLLTSHR
SCHEMBL11718417 0.86 MEN1 (0.61) RAB9AMEN1KMT2AMGLLTSHR
SCHEMBL3762963 0.84 CA12 (0.56) RAB9ANPC1SIGMAR1MEN1KMT2A
SCHEMBL3764910 0.83 ALDH1A1 (0.61) RAB9ANPC1SIGMAR1MEN1KMT2A
SCHEMBL3757745 0.83 HTT (0.69) MGLLTSHRALDH1A1USP2HTT
SCHEMBL3760554 0.83 TSHR (0.49) RAB9ASIGMAR1MEN1KMT2ATSHR
SCHEMBL3762764 0.83 RAB9A (0.68) RAB9AMEN1KMT2AMGLLALDH1A1
SCHEMBL3753422 0.83 TSHR (0.68) MEN1KMT2ATSHRALDH1A1USP2
SCHEMBL1008405 0.79 MAPT (0.65) RAB9ANPC1MEN1KMT2AMGLL
SCHEMBL14511319 0.79 HTT (0.62) RAB9ANPC1MEN1KMT2AMGLL

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 RAB9A 4065/4885NPC1 206/4885SIGMAR1 3409/4885

“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.