SCHEMBL1001328

SCHEMBL1001328

O=C1CCCN1C(c1ccc(CN2CCC(c3ccn4cnnc4c3)CC2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
ADRA1A P35348 3/20 0.36
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
TYK2 P29597 2/20 0.34
FASN P49327 1/20 0.33
PIK3CA P42336 1/20 0.33
PRKAA2 P54646 1/20 0.33
MLLT1 Q03111 4/20 0.33
MLLT3 P42568 1/20 0.33
YEATS2 Q9ULM3 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL1003714 0.74 JAK2 (0.36) DRD2ADRA1AJAK2JAK1JAK3
SCHEMBL1003712 0.74 JAK2 (0.36) DRD2ADRA1AJAK2JAK1JAK3
SCHEMBL2882785 0.72 PRKAA2 (0.42) DRD2ADRA1AJAK2JAK1JAK3
SCHEMBL1002847 0.69 MCHR1 (0.36) ADRA1AKMT2AALDH1A1HTTPARP1
SCHEMBL1002797 0.66 MCHR1 (0.71) ADRA1A
SCHEMBL1004271 0.65 MCHR1 (0.55) ADRA1ASIGMAR1
SCHEMBL1004285 0.64 LMNA (0.40) ADRA1AALDH1A1
SCHEMBL30216634 0.63 KMT2A (0.38) ADRA1AMEN1KMT2A
SCHEMBL30216623 0.63 KMT2A (0.38) ADRA1AMEN1KMT2A
SCHEMBL2885155 0.62 MCHR1 (0.41) DRD2FASNPIK3CAPRKAA2MEN1

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 38/4885JAK2 122/4885

“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.