SCHEMBL6095262

SCHEMBL6095262

C#CC(C)(C)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
RIPK1 Q13546 1/20 0.40
CYP2D6 P10635 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6759426 0.80 CYP3A4 (0.43) CYP3A4MAPTKDM4ESLC6A2TAAR1
SCHEMBL29018646 0.78 LOXL2 (0.56) KDM4ECYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6096273 0.77 CYP3A4 (0.41) CYP3A4MAPTKDM4ESLC6A2TAAR1
SCHEMBL125129 0.76 CYP3A4 (0.52) CYP3A4MAPTKDM4ESLC6A2TAAR1
SCHEMBL21152936 0.74 IDO1 (0.39) CYP3A4MAPTKDM4ESLC6A2TAAR1
Bromide SCHEMBL11038149 0.74 CYP3A4 (0.50) CYP3A4MAPTKDM4ESLC6A2TAAR1
Water SCHEMBL13583453 0.74 CYP3A4 (0.56) CYP3A4MAPTKDM4ESLC6A2TAAR1
SCHEMBL14145021 0.74 CYP3A4 (0.50) CYP3A4MAPTKDM4ESLC6A2TAAR1
Iodide SCHEMBL4994541 0.74 CYP3A4 (0.50) CYP3A4MAPTKDM4ESLC6A2TAAR1
Hydrochloric Acid SCHEMBL538794 0.74 CYP3A4 (0.56) CYP3A4MAPTKDM4ESLC6A2TAAR1

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-7109352-B2 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2006-09-19 US disclosed
US-20050143586-A1 Process for producing optically active amino acid derivatives KANEKA CORPORATION (JP) 2005-06-30 US disclosed
US-6720449-B2 N-PROTECTING AN OPTICALLY ACTIVE 3-HALOALANINE DERIVATIVE FOLLOWED BY CYCLIZATION FOR AZIRIDINE-2-CARBOXYLIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2004-04-13 US disclosed
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-20030032814-A1 Process for preparing optically active amino acid derivatives KANEKA CORPORATION (JP) 2003-02-13 US disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 US disclosed
EP-1179530-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE AMINO ACID DERIVATIVES Kaneka Corporation (JP) 2002-02-13 EP 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-20050143586-A1 Process for producing optically active amino acid derivatives NPEPPS, AAAS, DDC CYP3A4 3453/4885MAPT 3756/4885KDM4E 3128/4885
US-20030032814-A1 Process for preparing optically active amino acid derivatives NPEPPS, AAAS, DDC CYP3A4 3503/4885MAPT 3793/4885KDM4E 3053/4885
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC CYP3A4 412/4885MAPT 4332/4885KDM4E 41/4885

“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.