SCHEMBL1001396

SCHEMBL1001396

CN(C(=O)C1(O)CC1)C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc(F)nc3)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
ADRA1A P35348 3/20 0.38
KCNH2 Q12809 4/20 0.36
MCHR1 Q99705 3/20 0.36
PIK3CA P42336 6/20 0.34
PRKAA2 P54646 6/20 0.34
ALDH1A1 P00352 1/20 0.34
PARP1 P09874 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 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
SCHEMBL1001395 1.00 DRD2 (0.38) DRD2ADRA1AKCNH2MCHR1PIK3CA
SCHEMBL1002977 0.87 DRD2 (0.38) DRD2ADRA1AKCNH2MCHR1PIK3CA
SCHEMBL1002976 0.87 DRD2 (0.38) DRD2ADRA1AKCNH2MCHR1PIK3CA
SCHEMBL12952972 0.81 PIK3CA (0.36) DRD2ADRA1AKCNH2MCHR1PIK3CA
SCHEMBL1002612 0.78 JAK2 (0.40) DRD2ADRA1AKCNH2MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1001532 0.78 JAK2 (0.40) DRD2ADRA1AKCNH2MCHR1ALDH1A1
SCHEMBL1003094 0.77 DRD2 (0.39) DRD2ADRA1AKCNH2MCHR1ALDH1A1
SCHEMBL1003096 0.77 DRD2 (0.39) DRD2ADRA1AKCNH2MCHR1ALDH1A1
SCHEMBL1002856 0.75 PRCP (0.39) DRD2ADRA1AKCNH2MCHR1JAK2
SCHEMBL1003714 0.75 JAK2 (0.36) DRD2ADRA1AKCNH2MCHR1ALDH1A1

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 DRD2 164/4885ADRA1A 38/4885KCNH2 2385/4885

“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.