SCHEMBL1001840

SCHEMBL1001840

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.45
KCNH2 Q12809 2/20 0.45
ACHE P22303 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PRKAA2 P54646 3/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.39
ADRA1A P35348 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL2878240 0.83 MCHR1 (0.41) MCHR1KCNH2ACHEPRKAA2SIGMAR1
SCHEMBL2880435 0.83 PRKAA2 (0.44) MCHR1PRKAA2ALDH1A1DRD2ADRA1A
SCHEMBL2882785 0.82 PRKAA2 (0.42) MCHR1KCNH2ACHEJAK2JAK1
SCHEMBL2877460 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883376 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2877463 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2883822 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882927 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882779 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2
SCHEMBL2882775 0.81 MCHR1 (0.51) MCHR1KCNH2JAK2JAK1TYK2

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 MCHR1 3/4885KCNH2 2385/4885ACHE 4181/4885

“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.