SCHEMBL12993113

SCHEMBL12993113

CN1CCC2=C(C1)NCC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.33
SETD7 Q8WTS6 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL16682531 0.68 MAOA (0.33) MAOAMAOBL3MBTL1CYP2C19SETD7
SCHEMBL8342687 0.68 MAOA (0.44) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL17624446 0.66 MAOA (0.42) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL22908207 0.65
Bromide SCHEMBL9737932 0.64 MAOA (0.41) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL10360551 0.63 ALDH1A1 (0.33) L3MBTL1
Bromide SCHEMBL9737718 0.62 MAOA (0.37) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL17721297 0.62 MAOA (0.39) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL14278211 0.62 MAOA (0.39) MAOAMAOBCYP2C19SETD7CHRM2
SCHEMBL17951099 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2009-04-30 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-20090111805-A1 BICYCLIC HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNY MAOA 1321/4885MAOB 559/4885L3MBTL1 843/4885

“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.