SCHEMBL14216819

SCHEMBL14216819

COc1cccc(N(C)C(=O)N(C)CCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.53
MTNR1B P49286 8/20 0.53
HSD17B2 P37059 3/20 0.47
HSD17B1 P14061 2/20 0.47
CASR P41180 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
TACR1 P25103 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14216840 0.92 MTNR1A (0.47) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL14217391 0.82 MAPT (0.45) HSD17B2HSD17B1CASRALDH1A1PTGDR2
SCHEMBL14216987 0.81 HTR2A (0.44) ALDH1A1TDP1
SCHEMBL14216818 0.77 HTR2A (0.47) MTNR1AMTNR1BCASRALDH1A1
SCHEMBL9117039 0.74 MEN1 (0.59) MTNR1AMTNR1BCASRALDH1A1PTGDR2
SCHEMBL20264517 0.74 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL8179559 0.73 HSD17B2 (0.55) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL9114062 0.72 TACR1 (0.62) MTNR1AMTNR1BALDH1A1PTGDR2TACR1
SCHEMBL14217373 0.71 SIGMAR1 (0.48) SLC6A2SLC6A4ALDH1A1
SCHEMBL11027897 0.71 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1

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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 MTNR1A 1639/4885MTNR1B 1037/4885HSD17B2 4001/4885

“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.