SCHEMBL2740477

SCHEMBL2740477

CCOC(=O)CC(=O)N1CCN(C(=O)c2ccccc2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
CCR6 P51684 1/20 0.59
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
MAPK14 Q16539 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL223124 0.84 CYP2C9 (0.50) MAPTLMNACYP2C9CYP2C19HTR2B
SCHEMBL2740472 0.83 HTT (0.67) HTTCCR6MAPTNPSR1ALDH1A1
SCHEMBL10722320 0.81 HTT (0.89) HTTCCR6MAPTNPSR1ALDH1A1
SCHEMBL3757745 0.79 HTT (0.69) HTTCCR6MAPTNPSR1ALDH1A1
SCHEMBL14899243 0.77 HTT (0.71) HTTCCR6MAPTNPSR1ALDH1A1
SCHEMBL14825166 0.76 HTT (1.00) HTTMAPTNPSR1ALDH1A1KMT2A
SCHEMBL8472994 0.76 LMNA (0.60) HTTMAPTALDH1A1LMNAMEN1
SCHEMBL406193 0.75 ERCC5 (0.59) HTTALDH1A1TSHRHSD17B10MEN1
SCHEMBL3088384 0.75 HTT (0.77) HTTCCR6MAPTNPSR1ALDH1A1
SCHEMBL4548030 0.75 HTT (0.77) HTTCCR6MAPTNPSR1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 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-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HTT 3358/4885CCR6 4392/4885MAPT 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.