SCHEMBL2878240

SCHEMBL2878240

O=C(c1ccc(F)c(F)c1)c1ccc(CN2CCC(c3cnc4nccn4c3)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
PRKAA2 P54646 8/20 0.38
PRKAB2 O43741 4/20 0.38
PRKAG1 P54619 4/20 0.38
PRKAA1 Q13131 4/20 0.38
PRKAG3 Q9UGI9 4/20 0.38
PRKAG2 Q9UGJ0 4/20 0.38
PRKAB1 Q9Y478 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.38
ACHE P22303 1/20 0.37
NAMPT P43490 2/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
PIK3CA P42336 2/20 0.37
HDAC1 Q13547 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL1001840 0.83 MCHR1 (0.45) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2880435 0.79 PRKAA2 (0.44) MCHR1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2882785 0.79 PRKAA2 (0.42) MCHR1PRKAA2SIGMAR1KCNH2ACHE
SCHEMBL2883696 0.76 MCHR1 (0.52) MCHR1PRKAA2KCNH2ACHE
SCHEMBL2882836 0.74 MCHR1 (0.54) MCHR1PRKAA2SIGMAR1KCNH2NAMPT
SCHEMBL2882832 0.74 MCHR1 (0.54) MCHR1PRKAA2SIGMAR1KCNH2NAMPT
SCHEMBL12975704 0.72 MCHR1 (0.49) MCHR1PRKAA2KCNH2POLBACKR3
SCHEMBL2877533 0.70 MCHR1 (0.54) MCHR1PRKAA2KCNH2PIK3CA
SCHEMBL2877532 0.70 MCHR1 (0.54) MCHR1PRKAA2KCNH2PIK3CA
Hydrochloric Acid SCHEMBL2882204 0.69 MCHR1 (0.59) MCHR1PRKAA2SIGMAR1KCNH2PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MCHR1 2/4885PRKAA2 3043/4885PRKAB2 3406/4885

“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.