SCHEMBL1002847

SCHEMBL1002847

O=C1CCCN1C(c1ccc(CO)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HSD11B1 P28845 2/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL1004285 0.83 LMNA (0.40) MCHR1ADRA1AALDH1A1HSD11B1LMNA
SCHEMBL30216634 0.76 KMT2A (0.38) ADRA1AADRA1BCHRM2CHRM4CHRM5
SCHEMBL30216623 0.76 KMT2A (0.38) ADRA1AADRA1BCHRM2CHRM4CHRM5
SCHEMBL3556189 0.73 MCHR1 (0.44) MCHR1ADRA1AALDH1A1CHRM2CHRM4
SCHEMBL3557183 0.72 MCHR1 (0.41) MCHR1ADRA1AALDH1A1HTTCHRM2
SCHEMBL13074142 0.70 PER2 (0.39) MCHR1ADRA1AADRA1BHSD11B1LMNA
SCHEMBL30216630 0.69 MEN1 (0.35) PARP1KMT2A
SCHEMBL1002201 0.68 CES2 (0.42) MCHR1ALDH1A1HTT
SCHEMBL12872182 0.66 MEN1 (0.47) ADRA1AADRA1BKMT2A
SCHEMBL13036382 0.65 HSD11B1 (0.36) MCHR1ADRA1AADRA1BALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 MCHR1 3/4885ADRA1A 38/4885ADRA1B 56/4885

“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.