SCHEMBL612801

SCHEMBL612801

CCCC(CCC)CCc1cccc(C(O)CCN)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TAAR1 Q96RJ0 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
AOC3 Q16853 1/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL3856392 0.92 NOS1 (0.35) NOS1NOS2
SCHEMBL611258 0.89 NOS1 (0.39) NOS1NOS2TAAR1DRD2DRD1
SCHEMBL13862369 0.89 NOS1 (0.39) NOS1NOS2TAAR1DRD2DRD1
SCHEMBL14642896 0.85 LPL (0.42) NOS1NOS2
SCHEMBL610307 0.83 LPL (0.49)
SCHEMBL14642760 0.82 NOS1 (0.40) NOS1NOS2TAAR1DRD2DRD1
SCHEMBL611352 0.82 HRH1 (0.44) NOS1NOS2TAAR1DRD2DRD1
SCHEMBL17277380 0.82 CYP3A4 (0.41) NOS1NOS2PNMT
SCHEMBL13959504 0.81 AOC3 (0.42) DRD1AOC3PNMT
SCHEMBL22700923 0.81 LMNA (0.43)

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-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT NOS1 819/4885NOS2 827/4885TAAR1 120/4885

“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.