SCHEMBL2152997

SCHEMBL2152997

COC(=O)C(N)Cc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
IDO1 P14902 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TACR1 P25103 2/20 0.39
PTGS2 P35354 1/20 0.39
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL2153002 1.00 OPRK1 (0.44) OPRK1IDO1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7261643 0.98 OPRK1 (0.44) OPRK1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL2153393 0.86 SCN9A (0.47) IDO1NOS3NOS1NOS2KMT2A
SCHEMBL2153399 0.86 SCN9A (0.47) IDO1NOS3NOS1NOS2KMT2A
SCHEMBL10564172 0.83 ITGA4 (0.41) OPRK1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL2502292 0.82 NLRP3 (0.45) OPRK1IDO1CYP2D6NOS3NOS1
SCHEMBL2586006 0.82 NLRP3 (0.45) OPRK1IDO1CYP2D6NOS3NOS1
SCHEMBL22113081 0.82 NLRP3 (0.45) OPRK1IDO1CYP2D6NOS3NOS1
SCHEMBL28741496 0.82 DPP4 (0.45) OPRK1NOS3NOS1NOS2KIF11
SCHEMBL29478100 0.82 NLRP3 (0.45) OPRK1IDO1CYP2D6NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833789-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS BV (NL) 2011-07-06 EP disclosed
CN-101090886-B Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV 2011-05-18 CN disclosed
US-7732621-B2 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP ASSETS B.V. (NL) 2010-06-08 US disclosed
EP-2069518-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS BV (NL) 2010-02-03 EP disclosed
CN-101517089-A Method for producing optically active phenylalanine compound from cinnamic acid derivative using phenylalanine ammonia lyase derived from Idiomarina loihiensis DSM IP ASSETS BV (NL) 2009-08-26 CN disclosed
EP-2069518-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSMIP Assets B.V. (NL) 2009-06-17 EP disclosed
US-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
WO-2008031578-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS B.V. (NL) 2008-03-20 WO disclosed
CN-101090886-A Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV (NL) 2007-12-19 CN disclosed
EP-1833789-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSMIP Assets B.V. (NL) 2007-09-19 EP disclosed
WO-2006069799-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS B.V. (NL) 2006-07-06 WO disclosed
EP-1676838-A1 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP Assets B.V. (NL) 2006-07-05 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 (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-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid IDO2, IDO1, KYNU OPRK1 86/4885IDO1 2/4885CYP1A2 43/4885

“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.