SCHEMBL1002856

SCHEMBL1002856

O=C(CCCCl)NC(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3ccc(F)nc3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.39
DRD2 P14416 3/20 0.38
ADRA1A P35348 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR1 P21453 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL1003094 0.85 DRD2 (0.39) DRD2ADRA1ASIGMAR1EGLN1S1PR3
SCHEMBL1003096 0.85 DRD2 (0.39) DRD2ADRA1ASIGMAR1EGLN1S1PR3
SCHEMBL1002612 0.84 JAK2 (0.40) DRD2ADRA1ASIGMAR1EGLN1JAK2
SCHEMBL1003710 0.79 DRD2 (0.42) PRCPDRD2ADRA1ASIGMAR1EGLN1
SCHEMBL1003708 0.79 DRD2 (0.42) PRCPDRD2ADRA1ASIGMAR1EGLN1
Hydrochloric Acid SCHEMBL1001532 0.78 JAK2 (0.40) DRD2ADRA1ASIGMAR1EGLN1JAK2
SCHEMBL1005179 0.75 DRD2 (0.43) PRCPDRD2ADRA1ASIGMAR1EGLN1
SCHEMBL1002976 0.75 DRD2 (0.38) DRD2ADRA1AEGLN1JAK2JAK1
SCHEMBL1002977 0.75 DRD2 (0.38) DRD2ADRA1AEGLN1JAK2JAK1
SCHEMBL1003712 0.75 JAK2 (0.36) DRD2ADRA1AEGLN1JAK2JAK1

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 PRCP 1370/4885DRD2 164/4885ADRA1A 38/4885

“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.