SCHEMBL3756964

SCHEMBL3756964

NCC(=O)N1CCN(C(=O)c2ccccc2OCC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK14 Q16539 1/20 0.46
HTT P42858 2/20 0.46
NOD2 Q9HC29 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 5/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A9 P48067 2/20 0.44
TSHR P16473 5/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL3756961 0.85 NPSR1 (0.47) NPSR1CYP2C9CYP2C19MAPK14HTT
SCHEMBL3762377 0.80 HTT (0.71) CYP2C9CYP2C19MAPK14HTTLMNA
SCHEMBL1221845 0.78 SMN1; SMN2 (0.47) HTTTDP1LMNAMEN1KMT2A
SCHEMBL3765161 0.77 HSD11B1 (0.56) NPSR1HTTLMNAMAPK1MEN1
SCHEMBL4000543 0.75 ALDH1A1 (0.53) HTTLMNAMEN1KMT2ARAB9A
SCHEMBL27854331 0.75 FAAH (0.51) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3759197 0.74 RAB9A (0.49) HTTMEN1KMT2ATSHRRAB9A
SCHEMBL3762963 0.74 CA12 (0.56) HTTMAPK1MEN1KMT2ATSHR
SCHEMBL933677 0.73 ALDH1A1 (0.57) HTTTDP1KMT2ATSHRALDH1A1
SCHEMBL3762764 0.73 RAB9A (0.68) CYP2C9CYP2C19MAPK14HTTTDP1

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 NPSR1 3073/4885CYP2C9 3031/4885CYP2C19 3176/4885

“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.