SCHEMBL4172487

SCHEMBL4172487

CCC(N)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
ACHE P22303 1/20 0.44
SLC6A4 P31645 1/20 0.42
ACP3 P15309 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
TACR1 P25103 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 2/20 0.38
CYP19A1 P11511 1/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
SCN4A P35499 4/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37

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
SCHEMBL17976091 1.00 AOC3 (0.45) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL5712566 0.87 SLC6A4 (0.48) SLC6A4SCN4AANPEPENPEP
SCHEMBL12056788 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL28337687 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL28337706 0.84 AOC3 (0.42) AOC3ACHESLC6A4ACP3TAAR1
SCHEMBL4277230 0.83 AOC3 (0.45) AOC3ACHEACP3TAAR1TACR1
SCHEMBL18765644 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1
SCHEMBL4598026 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1
SCHEMBL30559594 0.82 AOC3 (0.44) AOC3ACHEACP3TAAR1TACR1
SCHEMBL20274525 0.82 TAAR1 (0.47) AOC3ACHEACP3TAAR1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
EP-3335736-A1 HETERODIMERS OF GLUTAMIC ACID Molecular Insight Pharmaceuticals, Inc. (US) 2018-06-20 EP disclosed
WO-2016154135-A1 ALKENE ISOMERIZATION AS AN ENTRY TO EFFICIENT ALTERNATING RING-OPENING METATHESIS POLYMERIZATION (i-AROMP) THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-09-29 WO disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
EP-0688679-B1 Method for reversible thermosensitive recording TOPPAN PRINTING CO LTD (JP) 1999-07-14 EP disclosed
EP-0418399-B1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM TOPPAN PRINTING CO LTD (JP) 1996-08-28 EP disclosed
EP-0688679-A1 Method for reversible thermosensitive recording Toppan Printing Co., Ltd. (JP) 1995-12-27 EP disclosed
US-5178669-A COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIA TOPPAN PRINTING CO., LTD. (JP) 1993-01-12 US disclosed
EP-0418399-A1 COMPOSITION FOR REVERSIBLE THERMAL RECORDING MEDIUM Toppan Printing Co., Ltd. (JP) 1991-03-27 EP 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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AOC3 3811/4885ACHE 3764/4885SLC6A4 2511/4885

“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.