SCHEMBL2880435

SCHEMBL2880435

COc1cc(C2CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)nc3)CC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.44
PIK3CA P42336 10/20 0.44
MCHR1 Q99705 1/20 0.43
POLB P06746 1/20 0.42
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
CCR5 P51681 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA1A P35348 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40

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) PRKAA2MCHR1POLBPRKAB2PRKAG1
SCHEMBL2883960 0.80 MCHR1 (0.55) PRKAA2PIK3CAMCHR1CCR5DRD2
SCHEMBL2883957 0.80 MCHR1 (0.55) PRKAA2PIK3CAMCHR1CCR5DRD2
SCHEMBL2883696 0.79 MCHR1 (0.52) PRKAA2MCHR1CCR5DRD2ADRA1A
SCHEMBL2878240 0.79 MCHR1 (0.41) PRKAA2PIK3CAMCHR1POLBPRKAB2
SCHEMBL2882785 0.79 PRKAA2 (0.42) PRKAA2PIK3CAMCHR1DRD2ADRA1A
SCHEMBL12975697 0.75 MCHR1 (0.50) MCHR1CCR5DRD2ADRA1A
SCHEMBL12975704 0.75 MCHR1 (0.49) PRKAA2MCHR1POLBDRD2ADRA1A
SCHEMBL2883703 0.74 MCHR1 (0.58) PRKAA2PIK3CAMCHR1CCR5ALDH1A1
SCHEMBL2883697 0.74 MCHR1 (0.58) PRKAA2PIK3CAMCHR1CCR5ALDH1A1

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 PRKAA2 3043/4885PIK3CA 3373/4885MCHR1 2/4885

“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.