SCHEMBL3702120

SCHEMBL3702120

CN1CC(N)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 5/20 0.37
KCNH2 Q12809 4/20 0.37
CYP2D6 P10635 3/20 0.37
GPR3 P46089 1/20 0.37
NOTUM Q6P988 1/20 0.37
PAX8 Q06710 1/20 0.37
ACHE P22303 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
HTR2A P28223 4/20 0.36
LMNA P02545 3/20 0.36
ADRA1A P35348 3/20 0.36
HRH1 P35367 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
OPRM1 P35372 2/20 0.36
ADRA2A P08913 2/20 0.36

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
SCHEMBL27576696 0.85 GPR3 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6GPR3
SCHEMBL29586069 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL431258 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL15717047 0.79 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL18681421 0.77 NOTUM (0.55) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL13372442 0.77 NOTUM (0.55) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL22240446 0.77 NOTUM (0.55) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL2625781 0.77 NOTUM (0.55) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL4700749 0.76 NISCH (0.37) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3
SCHEMBL21957933 0.75 HTR2A (0.39) MTNR1AMTNR1BSLC6A2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 CN claimed
CN-117624179-A 3- (amino) methylene indoline derivative and preparation method and application thereof 徐诺药业(南京)有限公司 2024-03-01 CN disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
WO-2008100635-A1 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (3 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 MTNR1A 727/4885MTNR1B 751/4885SLC6A2 3176/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 MTNR1A 727/4885MTNR1B 751/4885SLC6A2 3176/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH MTNR1A 3692/4885MTNR1B 2157/4885SLC6A2 4049/4885

“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.