SCHEMBL4351158

SCHEMBL4351158

CCCc1ccc(N)c(CCC2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
BCHE P06276 1/20 0.39
SKP2 Q13309 1/20 0.38
CEL P19835 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
QRFPR Q96P65 1/20 0.34
CYP1A2 P05177 1/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TBK1 Q9UHD2 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL18545307 0.77 DAO (0.40) BCHECELPOLBGAATBK1
SCHEMBL10586080 0.77 CEL (0.43) BCHECELPOLBGAANOS3
SCHEMBL10697228 0.77 MAOB (0.55) MAOAMAOBBCHECELCYP1A2
SCHEMBL4559159 0.76 DRD2 (0.44) MAOAMAOBBCHECYP1A2
SCHEMBL20824950 0.75 SKP2 (0.59) SKP2CNR1CNR2GABRA1GABRB2
SCHEMBL9309388 0.75 SKP2 (0.48) SKP2POLBCNR1CNR2GABRA1
SCHEMBL3836345 0.74 BCHE (0.45) MAOAMAOBBCHECYP1A2
SCHEMBL27759345 0.73 SKP2 (0.47) SKP2CNR1CNR2GABRA1GABRB2
SCHEMBL15399734 0.73 SLC6A2 (0.39) MAOBTBK1
SCHEMBL8766556 0.72 ALDH1A1 (0.30)

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
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT MAOA 49/4885MAOB 15/4885BCHE 800/4885

“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.