SCHEMBL6904935

SCHEMBL6904935

CC1(C)CCCC(C)(CN)C1N

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4692464 0.77 CYP3A4 (0.32) CYP3A4MAPT
SCHEMBL27257151 0.69 ALDH1A1 (0.30)
SCHEMBL10453575 0.65
SCHEMBL5689783 0.64 SLC6A4 (0.39) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL27836039 0.62
SCHEMBL19580571 0.62 SLC6A3 (0.38) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL20865793 0.62 MEN1 (0.30) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL26127518 0.62 MEN1 (0.30) MEN1CYP3A4KMT2ATSHRPDK1
SCHEMBL21670976 0.61
SCHEMBL23602016 0.61

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-107428674-A Method for isomerizing 1,3, 3-trimethyl-1- (aminomethyl) aminocyclohexane 三菱瓦斯化学株式会社 2017-12-01 CN claimed
US-20230250047-A1 METHOD FOR ISOMERIZING ALIPHATIC DIAMINE, METHOD FOR PRODUCING DIISOCYANATE, METHOD FOR PRODUCING POLYURETHANE, AND POLYURETHANE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-08-10 US disclosed
EP-4180415-A1 ALIPHATIC DIAMINE ISOMERIZATION METHOD, DIISOCYANATE PRODUCTION METHOD, POLYURETHANE PRODUCTION METHOD, AND POLYURETHANE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-05-17 EP disclosed
CN-115768742-A Method for isomerizing aliphatic diamine, method for producing diisocyanate, method for producing polyurethane, and polyurethane 三菱瓦斯化学株式会社 2023-03-07 CN disclosed
CN-107428674-A Method for isomerizing 1,3, 3-trimethyl-1- (aminomethyl) aminocyclohexane 三菱瓦斯化学株式会社 2017-12-01 CN disclosed
US-6831137-B2 Impact resistant transparent polyamide alloys EMS INVENTA AG (CH) 2004-12-14 US disclosed
US-20020128377-A1 Impact resistant transparent polyamide alloys EMS-PATENT AG (CH) 2002-09-12 US disclosed
US-4761434-A Stable dispersions of polyureas and/or polyhydrazodi-carbonamides in relatively high molecular weight, hydroxyl group-containing compounds process for the production thereof and use thereof for the production of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1988-08-02 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-20230250047-A1 METHOD FOR ISOMERIZING ALIPHATIC DIAMINE, METHOD FOR PRODUCING DIISOCYANATE, METHOD FOR PRODUCING POLYURETHANE, AND POLYURETHANE ODC1, AOC1, SAT1 MEN1 892/4885CYP3A4 3255/4885KMT2A 1384/4885

“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.