SCHEMBL2880370

SCHEMBL2880370

O=C(c1ccc(Cl)cn1)c1ccccc1CN1CCC(c2ccn3cnnc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
FASN P49327 1/20 0.37
ACKR3 P25106 3/20 0.35
PRKAA2 P54646 2/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
DRD2 P14416 3/20 0.33
CCR3 P51677 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MCHR1 Q99705 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33

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
SCHEMBL2880376 0.85 FASN (0.41) MAOAMAOBFASNACKR3PRKAA2
SCHEMBL2882785 0.75 PRKAA2 (0.42) FASNPRKAA2PIK3CADRD2MCHR1
SCHEMBL2885155 0.74 MCHR1 (0.41) MAOAMAOBFASNACKR3PRKAA2
SCHEMBL2883117 0.65 MCHR1 (0.45) FASNPRKAA2PIK3CADRD2MCHR1
SCHEMBL2883113 0.65 MCHR1 (0.45) FASNPRKAA2PIK3CADRD2MCHR1
SCHEMBL15601518 0.62 FASN (0.51) FASNMEN1KMT2A
SCHEMBL12975633 0.61 SUV39H2 (0.44) FASN
SCHEMBL1001328 0.61 DRD2 (0.36) FASNPRKAA2PIK3CAMEN1KMT2A
SCHEMBL7189640 0.58 CCR5 (0.57) MEN1KMT2ADRD2CCR3DRD4
SCHEMBL12975609 0.57 FASN (0.40) FASN

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 MAOA 73/4885MAOB 81/4885CNR1 271/4885

“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.