SCHEMBL2880376

SCHEMBL2880376

O=C(c1ccc(CN2CCC(c3ccn4cnnc4c3)CC2)cc1)c1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PRKAA2 P54646 3/20 0.40
PIK3CA P42336 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MLLT1 Q03111 4/20 0.39
F10 P00742 4/20 0.39
MCHR1 Q99705 2/20 0.39
KCNH2 Q12809 1/20 0.39
MLLT3 P42568 1/20 0.38
YEATS2 Q9ULM3 1/20 0.38
ACKR3 P25106 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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

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
SCHEMBL2882785 0.87 PRKAA2 (0.42) FASNPRKAA2PIK3CAMLLT1MCHR1
SCHEMBL2880370 0.85 MAOA (0.40) FASNMAOAMAOBPRKAA2PIK3CA
SCHEMBL2885155 0.84 MCHR1 (0.41) FASNMAOAMAOBPRKAA2PIK3CA
SCHEMBL2883117 0.74 MCHR1 (0.45) FASNPRKAA2PIK3CAMCHR1KCNH2
SCHEMBL2883113 0.74 MCHR1 (0.45) FASNPRKAA2PIK3CAMCHR1KCNH2
SCHEMBL1001840 0.68 MCHR1 (0.45) PRKAA2EGLN1MCHR1KCNH2PRKAB2
SCHEMBL1001328 0.67 DRD2 (0.36) FASNPRKAA2PIK3CAMLLT1MLLT3
SCHEMBL2878240 0.66 MCHR1 (0.41) PRKAA2PIK3CAMCHR1KCNH2ACKR3
SCHEMBL12975715 0.66 PRKAA2 (0.45) PRKAA2MCHR1KCNH2ACKR3PRKAB2
SCHEMBL2880435 0.65 PRKAA2 (0.44) PRKAA2PIK3CAMCHR1PRKAB2PRKAG1

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 claimed

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 FASN 3762/4885MAOA 73/4885MAOB 81/4885

“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.