SCHEMBL3787650

SCHEMBL3787650

Nc1ccccc1CC1(N)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 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
Ammonia Solution, Strong SCHEMBL14343978 0.98 MAOA (0.42) MAOAMAOBCYP3A4CYP2C19
SCHEMBL7105614 0.79 USP2 (0.41) CYP3A4CYP2C19ALOX15CASP1CASP7
SCHEMBL7101911 0.79 USP2 (0.41) CYP3A4CYP2C19ALOX15CASP1CASP7
SCHEMBL4556660 0.77 TSHR (0.39) CYP3A4CYP2C19ALOX15CASP1CASP7
SCHEMBL20198582 0.74 MAOA (0.79) MAOAMAOB
SCHEMBL2289825 0.74 MAOA (0.79) MAOAMAOB
SCHEMBL20104709 0.74 MAOA (0.79) MAOAMAOB
SCHEMBL8803044 0.74 MAOA (0.79) MAOAMAOB
SCHEMBL7108350 0.73 FDPS (0.36) MAOAMAOBCYP3A4CYP2C19ALOX15
SCHEMBL6072937 0.72 NPC1 (0.42) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430533-A Dual-activity epoxy resin curing agent, epoxy resin composition and application thereof 万华化学集团股份有限公司 2024-01-23 CN disclosed
CN-101654504-B Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM 2013-07-10 CN disclosed
CN-101654504-B Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM 2013-07-10 CN disclosed
CN-101654504-B Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM 2013-07-10 CN disclosed
EP-2157079-B1 N-Alkylated 4-aminobenzyl-4-aminocyclohexanes as curing agents in polymer compositions AIR PROD & CHEM (US) 2013-01-02 EP disclosed
EP-2157079-B1 N-Alkylated 4-aminobenzyl-4-aminocyclohexanes as curing agents in polymer compositions AIR PROD & CHEM (US) 2013-01-02 EP disclosed
US-20100048832-A1 Alkylated 4-Aminobenzyl-4-Aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US disclosed
US-20100048832-A1 Alkylated 4-Aminobenzyl-4-Aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US disclosed
US-20100048832-A1 Alkylated 4-Aminobenzyl-4-Aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US disclosed
EP-2157079-A1 Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP disclosed
EP-2157079-A1 Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP disclosed
EP-2157079-A1 Alkylated 4-aminobenzyl-4-aminocyclohexane AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP disclosed
CN-101654504-A alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM US 2010-02-24 CN disclosed
CN-101654504-A alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM US 2010-02-24 CN disclosed
CN-101654504-A alkylated 4-aminobenzyl-4-aminocyclohexane AIR PROD & CHEM US 2010-02-24 CN disclosed
US-4186145-A Process for the hydrogenation of an aromatic amine and the supported ruthenium catalyst used in the process BAYER AKTIENGESELLSCHAFT (DE) 1980-01-29 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-20100048832-A1 Alkylated 4-Aminobenzyl-4-Aminocyclohexane ALKBH2, ALKBH1, ALKBH5 MAOA 2476/4885MAOB 2012/4885CYP3A4 2129/4885

“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.