SCHEMBL4840738

SCHEMBL4840738

CN(C)C(=O)c1ccc2c(C#N)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.45
ERN1 O75460 4/20 0.44
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM2B Q8NHM5 3/20 0.36

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
SCHEMBL14209970 0.83 ALDH1A1 (0.58) MAPTHPGDALDH1A1PTPN1HTT
SCHEMBL31347620 0.83 ALDH1A1 (0.58) MAPTHPGDALDH1A1PTPN1HTT
SCHEMBL31525283 0.81 PTPN1 (0.60) ERN1MAPTHPGDALDH1A1PTPN1
SCHEMBL4848179 0.81 PTPN1 (0.60) ERN1MAPTHPGDALDH1A1PTPN1
SCHEMBL23909571 0.80 PARP1 (0.44) ERN1MAPTHPGDALDH1A1PTPN1
Hydrochloric Acid SCHEMBL4848001 0.80 PTPN1 (0.58) ERN1MAPTHPGDALDH1A1PTPN1
SCHEMBL4847989 0.80 PTPN1 (0.42) MAPTHPGDALDH1A1PTPN1HTT
SCHEMBL4847261 0.73 NCEH1 (0.45) NCEH1ERN1MAPTHPGDALDH1A1
SCHEMBL22507880 0.73 S1PR3 (0.48) MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL32665335 0.73 ERN1 (0.42) ERN1MAPTHPGDALDH1A1SMN1; SMN2

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-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 US disclosed
US-20080058423-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY 2008-03-06 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-20080058423-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R NCEH1 557/4885ERN1 4559/4885MAPT 3565/4885

“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.