SCHEMBL1706266

SCHEMBL1706266

C[C@](N)(C(N)=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
KMT2A Q03164 1/20 0.65
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 1/20 0.48
KCNN4 O15554 8/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1706265 1.00 MAPT (0.65) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL1706268 1.00 MAPT (0.65) MAPTKMT2ACYP1A2CYP2D6KCNN4
Hydrochloric Acid SCHEMBL16776633 0.98 MAPT (0.63) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL29758021 0.88 MAPT (0.57) MAPTKMT2AKCNN4
SCHEMBL59841 0.84 CYP1A2 (0.58) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL5181868 0.84 MAPT (0.56) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL222049 0.84 CYP1A2 (0.58) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL220775 0.84 CYP1A2 (0.58) MAPTKMT2ACYP1A2CYP2D6KCNN4
Hydrochloric Acid SCHEMBL304449 0.82 CYP1A2 (0.56) MAPTKMT2ACYP1A2CYP2D6KCNN4
Hydrochloric Acid SCHEMBL1455022 0.82 CYP1A2 (0.56) MAPTKMT2ACYP1A2CYP2D6KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157919-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS Bayer Pharma Aktiengesellschaft (DE) 2017-04-26 EP disclosed
WO-2015193219-A1 BET-PROTEIN INHIBITING 3,4-DIHYDROPYRIDO[2,3-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
EP-2203562-B1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS BV (NL) 2012-04-18 EP disclosed
US-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS B.V. (NL) 2010-12-02 US disclosed
EP-2203562-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP Assets B.V. (NL) 2010-07-07 EP disclosed
WO-2009050216-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL DSM IP ASSETS BV (NL) 2009-04-23 WO disclosed
US-20070196904-A1 Method for the production of chiral secondary alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-08-23 US disclosed
EP-1725674-A1 METHOD FOR THE PRODUCTION OF CHIRAL, SECONDARY ALCOHOLS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2006-11-29 EP disclosed
WO-2005095629-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS BY MEANS OF AZEOTROPICALLY DRIED ENZYME COMPOSITIONS DSM IP ASSETS B.V. (NL) 2005-10-13 WO disclosed
WO-2005095628-A1 METHOD FOR THE PRODUCTION OF CHIRAL, SECONDARY ALCOHOLS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-10-13 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-20100304451-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY AND/OR DIASTEREOMERICALLY ENRICHED ESTER, THIOESTER, ALCOHOL OR THIOL ADH1C, ACOT7, ADH5 MAPT 2689/4885KMT2A 976/4885CYP1A2 508/4885

“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.