SCHEMBL1005478

SCHEMBL1005478

O=C(NC(c1ccc(CN2CCC(c3cnn4ncccc34)CC2)cc1)c1ccc(F)c(F)c1)C1(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
ADRA1A P35348 3/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
CHRM4 P08173 3/20 0.36
ACACB O00763 3/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
PRCP P42785 4/20 0.34
LTA4H P09960 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 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
SCHEMBL1002520 1.00 DRD2 (0.38) DRD2ADRA1ASLC6A4SLC6A3SIGMAR1
Hydrochloric Acid SCHEMBL1003146 0.80 DRD2 (0.36) DRD2ADRA1ASIGMAR1KCNH2MCHR1
SCHEMBL1003017 0.73 ADRA1A (0.35) DRD2ADRA1ASIGMAR1CCNKCDK12
SCHEMBL1003018 0.73 ADRA1A (0.35) DRD2ADRA1ASIGMAR1CCNKCDK12
SCHEMBL1002306 0.71 ADRA1A (0.35) DRD2ADRA1ACCNKCDK12MCHR1
SCHEMBL1003710 0.66 DRD2 (0.42) DRD2ADRA1ASLC6A4SLC6A3SIGMAR1
SCHEMBL1003708 0.66 DRD2 (0.42) DRD2ADRA1ASLC6A4SLC6A3SIGMAR1
SCHEMBL2877440 0.65 MCHR1 (0.45) DRD2ADRA1ASIGMAR1CCNKCDK12
SCHEMBL2877441 0.65 MCHR1 (0.45) DRD2ADRA1ASIGMAR1CCNKCDK12
SCHEMBL1002500 0.63 MCHR1 (0.55) ADRA1AKCNH2MCHR1

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 4 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 claimed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP claimed
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 38/4885SLC6A4 901/4885

“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.