SCHEMBL4847261

SCHEMBL4847261

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.45
ERN1 O75460 2/20 0.41
LOX P28300 1/20 0.41
DPP4 P27487 2/20 0.41
KIF11 P52732 2/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL15345512 0.81 PARP10 (0.49) PTPN1ALDH1A1MAPTHPGD
SCHEMBL4846717 0.75 NQO2 (0.47) NCEH1POLBMAPTCYP3A4
SCHEMBL4840738 0.73 NCEH1 (0.45) NCEH1ERN1PTPN1ALDH1A1MAPT
SCHEMBL32665503 0.73 HSP90AA1 (0.42) ERN1LOXKIF11POLBALDH1A1
SCHEMBL7011836 0.72 CES2 (0.61) PTPN1ALDH1A1MAPTHPGDCYP3A4
SCHEMBL929805 0.71 LOXL2 (0.60) ERN1LOXKIF11
SCHEMBL9193164 0.71 ALDH1A1 (0.59) NCEH1ERN1ALDH1A1HPGD
SCHEMBL4846769 0.71 CYP2D6 (0.42) ALDH1A1
SCHEMBL15345565 0.71 IDH1 (0.47)
SCHEMBL15345458 0.71 CYP1A2 (0.57) ALDH1A1HPGD

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 6 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-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
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 4559/4885LOX 2528/4885

“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.