SCHEMBL1003018

SCHEMBL1003018

CN(C(=O)C(C)(C)O)C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cnn4ncccc34)CC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.35
DRD2 P14416 3/20 0.35
CCR5 P51681 1/20 0.33
CCNK O75909 4/20 0.32
CDK12 Q9NYV4 4/20 0.32
HRH2 P25021 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MCHR1 Q99705 2/20 0.32
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
ALK Q9UM73 1/20 0.31
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30

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
SCHEMBL1003017 1.00 ADRA1A (0.35) ADRA1ADRD2CCR5CCNKCDK12
SCHEMBL1002306 0.91 ADRA1A (0.35) ADRA1ADRD2CCR5CCNKCDK12
SCHEMBL1002976 0.82 DRD2 (0.38) ADRA1ADRD2CCR5ALDH1A1MCHR1
SCHEMBL1002977 0.82 DRD2 (0.38) ADRA1ADRD2CCR5ALDH1A1MCHR1
SCHEMBL12952972 0.76 PIK3CA (0.36) ADRA1ADRD2CCR5MCHR1
Hydrochloric Acid SCHEMBL1003146 0.75 DRD2 (0.36) ADRA1ADRD2ALDH1A1MCHR1SIGMAR1
SCHEMBL1002520 0.73 DRD2 (0.38) ADRA1ADRD2CCNKCDK12MCHR1
SCHEMBL1005478 0.73 DRD2 (0.38) ADRA1ADRD2CCNKCDK12MCHR1
SCHEMBL2877440 0.72 MCHR1 (0.45) ADRA1ADRD2CCNKCDK12HRH2
SCHEMBL2877441 0.72 MCHR1 (0.45) ADRA1ADRD2CCNKCDK12HRH2

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 ADRA1A 38/4885DRD2 164/4885CCR5 2726/4885

“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.