SCHEMBL6350403

SCHEMBL6350403

[CH2]CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
PLA2G1B P04054 1/20 0.49
POLB P06746 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
TSHR P16473 2/20 0.49
IDO1 P14902 3/20 0.48
SIGMAR1 Q99720 3/20 0.46
PNMT P11086 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL8987672 0.87 L3MBTL1 (0.65) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL11089154 0.83 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL3932468 0.79 HTR1A (0.54) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL30496731 0.79 HTR1A (0.54) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL6077378 0.79 L3MBTL1 (0.57) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL11957894 0.79 PRMT5 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL23521792 0.79 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL29807861 0.79 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL4573627 0.78 IDO1 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL8042005 0.78 L3MBTL1 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19L3MBTL1

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-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP1A2 3946/4885CYP2D6 3054/4885CYP2C9 3709/4885

“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.