SCHEMBL17592602

SCHEMBL17592602

CN(C)N=C1CCC2(CC1Cc1ccccc1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 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
SCHEMBL17592600 1.00 ALDH1A1 (0.33) ALDH1A1DDB1CRBNSMN1; SMN2MAPT
SCHEMBL17592313 0.79
SCHEMBL17592312 0.79
SCHEMBL17592658 0.77 DDB1 (0.43) ALDH1A1DDB1CRBNSMN1; SMN2MAPT
SCHEMBL2790819 0.71 HPGD (0.33) ALDH1A1LMNAKMT2ANPSR1CYP2C9
SCHEMBL2790817 0.71 HPGD (0.33) ALDH1A1LMNAKMT2ANPSR1CYP2C9
SCHEMBL25046039 0.68 NPC1 (0.39) ALDH1A1MAPTLMNAMEN1GAA
SCHEMBL26983662 0.68 C5AR1 (0.34) LMNAKDM4EATMNPSR1TDP1
SCHEMBL30727025 0.68 C5AR1 (0.34) LMNAKDM4EATMNPSR1TDP1
SCHEMBL30727008 0.67 C5AR1 (0.36) ALDH1A1DDB1CRBNSMN1; SMN2MAPT

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
US-20200123142-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2020-04-23 US disclosed
US-20200123142-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2020-04-23 US disclosed
US-10106510-B2 Substituted isoxazoles for treating cancer Epizyme, Inc. (US) 2018-10-23 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
EP-3190891-A1 SUBSTITUTED CYCLOHEXYLAMINE COMPOUNDS Epizyme, Inc. (US) 2017-07-19 EP disclosed
WO-2016040502-A1 SUBSTITUTED CYCLOHEXYLAMINE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO 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-20200123142-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 ALDH1A1 1867/4885DDB1 818/4885CRBN 1343/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 ALDH1A1 1867/4885DDB1 818/4885CRBN 1343/4885
US-10106510-B2 Substituted isoxazoles for treating cancer SMYD3, SMYD2, SNRPD3 ALDH1A1 858/4885DDB1 1014/4885CRBN 2136/4885

“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.