SCHEMBL468022

SCHEMBL468022

N[C@H](Cc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
SLC6A2 P23975 3/20 0.56
TAAR1 Q96RJ0 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
MAOA P21397 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
CYP2D6 P10635 2/20 0.52
ANPEP P15144 1/20 0.52
CYP1A2 P05177 2/20 0.50

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
SCHEMBL3451169 1.00 EPHX1 (0.61) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL272604 1.00 EPHX1 (0.61) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28839661 0.98 EPHX1 (0.58) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL8422879 0.89 SLC6A2 (0.57) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL28893947 0.89 SLC6A2 (0.56) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL17463566 0.87 EPHX1 (0.52) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL9323047 0.87 EPHX1 (0.52) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL17887234 0.87 ACP3 (0.51) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL9322166 0.87 MAOB (0.50) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL3289611 0.85 SLC6A4 (0.52) EPHX1SLC6A2TAAR1SLC6A4SLC6A3

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224457-A Process for manufacturing optically active sulfur-containing carboxylic acid SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-09-23 US claimed
CN-114375290-B Novel synthetic options for preparing compounds 百时美施贵宝公司 2024-11-29 CN disclosed
US-20240043398-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2024-02-08 US disclosed
CN-114375290-A Novel synthetic options for the preparation of (6R,10S) -10- {4- [ 5-chloro-2- (4-chloro-1H-1, 2, 3-triazol-1-yl) phenyl ] -6-oxo-1 (6H) -pyrimidinyl } -1- (dioxomethyl) -6-methyl-1, 4,7,8,9, 10-hexahydro-11, 15- (methylenebridging) pyrazolo [4,3-B ] [1,7] diazacyclotetradecyn-5 (6H) -one 百时美施贵宝公司 2022-04-19 CN disclosed
US-20220048856-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATE THEREOF SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2022-02-17 US disclosed
EP-3901137-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATE THEREOF Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2021-10-27 EP disclosed
WO-2020125536-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATE THEREOF 浙江华海药业股份有限公司 2020-06-25 WO disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
WO-2017091453-A1 NOVEL PROCESSES FOR MAKING SUBSTITUTED QUINAZOLINE COMPOUNDS USING HYDROGEN BONDING CATALYSTS MERCK SHARP & DOHME CORP. (US) 2017-06-01 WO disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
EP-0470127-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1992-02-12 EP disclosed
CN-1014885-B Asymmetric synthesis of optically active alpha-substituted benzylamines CHENGDU ORGANIC CHEM INST (CN) 1991-11-27 CN disclosed
US-5011834-A Treating or preventing neuronal loss in ischemia, hypoxia, brain and spinal cord trauma, Alzheimer*s STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1991-04-30 US disclosed
WO-1990012575-A1 PCP RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1990-11-01 WO disclosed
CN-1039582-A The method of asymmetric synthesis of optical activity α-Qu Daibianan CHENGDU ORGANIC CHEM INST (CN) 1990-02-14 CN disclosed
EP-0246195-B1 OPTICALLY ACTIVE IRIDIUM COMPLEXES AND THEIR USE CIBA-GEIGY AG (CH) 1989-12-13 EP disclosed
EP-0246196-B1 OPTICALLY ACTIVE IRIDIUM COMPLEXES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-10-25 EP disclosed
US-4855432-A HYDROGENATION CATALYST IN TRANSFER HYDROGENATION OF PROCHIRAL KETONES CIBA-GEIGY CORPORATION (US) 1989-08-08 US disclosed
US-4851534-A ENANTIOSELECTIVE HYDROGENATION CATALYST CIBA-GEIGY CORPORATION (US) 1989-07-25 US disclosed
US-4224457-A Process for manufacturing optically active sulfur-containing carboxylic acid SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-09-23 US 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-20240043398-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS PIR, PUM1, ZRANB2 EPHX1 2634/4885SLC6A2 2118/4885TAAR1 3814/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 EPHX1 3510/4885SLC6A2 1030/4885TAAR1 3871/4885
US-20220048856-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATE THEREOF BLVRB, QDPR, CYP4B1 EPHX1 1578/4885SLC6A2 2656/4885TAAR1 2321/4885

“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.