SCHEMBL1003710

SCHEMBL1003710

CC(C)(O)C(=O)NC(c1ccc(CN2CCC(c3ccc(F)nc3)CC2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
ADRA1A P35348 3/20 0.42
PRCP P42785 4/20 0.39
LTA4H P09960 3/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 2/20 0.37
MCHR1 Q99705 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL1003708 1.00 DRD2 (0.42) DRD2ADRA1APRCPLTA4HEGLN1
SCHEMBL1003096 0.92 DRD2 (0.39) DRD2ADRA1ALTA4HEGLN1SIGMAR1
SCHEMBL1003094 0.92 DRD2 (0.39) DRD2ADRA1ALTA4HEGLN1SIGMAR1
SCHEMBL1005179 0.90 DRD2 (0.43) DRD2ADRA1APRCPEGLN1SLC6A4
SCHEMBL1002976 0.79 DRD2 (0.38) DRD2ADRA1AEGLN1KCNH2MCHR1
SCHEMBL1002977 0.79 DRD2 (0.38) DRD2ADRA1AEGLN1KCNH2MCHR1
SCHEMBL1002856 0.79 PRCP (0.39) DRD2ADRA1APRCPEGLN1SLC6A4
SCHEMBL1002612 0.78 JAK2 (0.40) DRD2ADRA1AEGLN1SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1005446 0.78 KCNH2 (0.41) DRD2ADRA1AEGLN1SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1001532 0.73 JAK2 (0.40) DRD2ADRA1AEGLN1SIGMAR1KCNH2

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 38/4885PRCP 1370/4885

“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.