SCHEMBL727307

SCHEMBL727307

COc1cccc(C2CCCCC2(C#N)O[Si](C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 2/20 0.37
USP30 Q70CQ3 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
KMT2A Q03164 1/20 0.37
GID4 Q8IVV7 1/20 0.37
ADRA1A P35348 1/20 0.36
CTSS P25774 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL726240 0.78 KDM1A (0.43) HTR2CKDM1ARCOR1ALDH1A1CYP2C19
SCHEMBL7844832 0.69 HTR2C (0.72) HTR2CALDH1A1DRD2DDB1CRBN
SCHEMBL9006877 0.68 KDM1A (0.42) HTR2CKDM1ARCOR1ALDH1A1CYP2C19
SCHEMBL2095198 0.68 HTR2C (0.70) HTR2CALDH1A1DRD2DDB1CRBN
Ammonia Solution, Strong SCHEMBL19664329 0.68 HTR2C (0.70) HTR2CALDH1A1DRD2DDB1CRBN
SCHEMBL28829972 0.68 KDM1A (0.60) HTR2CKDM1ARCOR1CYP2C19DRD2
SCHEMBL6901332 0.67 SLC6A4 (0.52) HTR2CKDM1ARCOR1SLC6A2SLC6A4
SCHEMBL7073756 0.67 SLC6A4 (0.52) HTR2CKDM1ARCOR1SLC6A2SLC6A4
SCHEMBL4876906 0.66 KMT2A (0.61) HTR2CKDM1AALDH1A1DRD2SLC6A2
SCHEMBL1515075 0.66 HTR2C (0.72) HTR2CDRD2DDB1CRBNGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 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 (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-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD HTR2C 322/4885KDM1A 117/4885RCOR1 3690/4885

“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.