SCHEMBL163841

SCHEMBL163841

NC1c2ccccc2CC1O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.48
KDM1A O60341 4/20 0.47
HTR2A P28223 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL29593884 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL29775131 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL1002064 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL83474 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL1161605 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL674106 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL3216510 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL5635861 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL163842 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D
SCHEMBL29777394 1.00 ANPEP (0.48) ANPEPKDM1AHTR2ASIGMAR1GRIN2D

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 1151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4132918-A1 NEW ANTI-MALARIAL AGENTS University Of Kentucky Research Foundation (US) 2023-02-15 EP claimed
CN-112679405-A Preparation method of (S) -7-oxa-2-azaspiro [4.5] decane derivative 南京富润凯德生物医药有限公司 2021-04-20 CN claimed
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-110151952-A The preparation method of sow aphrodisiac powder 浙江大飞龙动物保健品股份有限公司 2019-08-23 CN claimed
CN-110150482-A A kind of sow aphrodisiac powder 浙江大飞龙动物保健品股份有限公司 2019-08-23 CN claimed
US-10227305-B2 Process for preparing indacaterol and salts thereof REDDY, G. Pratap (IN) 2019-03-12 US claimed
US-10059678-B2 Process for preparing olodaterol and intermediates thereof REDDY, G. Pratap (IN) 2018-08-28 US claimed
US-20180215714-A1 A Process for Preparing Indacaterol and Salts Thereof REDDY, G. Pratap (IN) 2018-08-02 US claimed
CN-107674010-A The preparation method and detection method of a kind of Ecadotril 陕西汉江药业集团股份有限公司 2018-02-09 CN claimed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US claimed
US-5489710-A AMINATION BY MIXING WITH NITRILE SOLVENT, ACIDIFICATION AND HYDROLYZING WITH WATER MERCK & CO., INC. (US) 1996-02-06 US claimed
WO-1995024375-A1 REGIOSPECIFIC PROCESS TO MAKE CIS-1-AMINO-2-ALKANOL FROM EPOXIDE MERCK & CO., INC. (US) 1995-09-14 WO claimed
WO-1995024374-A1 REGIOSPECIFIC PROCESSES TO MAKE CIS-1-AMINO-2-ALKANOL FROM DIOL OR HALOHYDRIN MERCK & CO., INC. (US) 1995-09-14 WO claimed
US-5449830-A Enzyme inhibitors for protease encoded for HIV MARCK & CO., INC. (US) 1995-09-12 US claimed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 EP claimed
US-5420353-A Protease inhibitors, AIDS MERCK & CO., INC. (US) 1995-05-30 US claimed
WO-1995008636-A1 RACEMATE CLEAVAGE OF PRIMARY AND SECONDARY AMINES BY ENZYME-CATALYSED ACYLATION BASF AKTIENGESELLSCHAFT (DE) 1995-03-30 WO claimed
WO-1995007880-A1 PROCESS FOR PREPARING CYCLIC CIS-1-AMINO-2-ALKANOLS SEPRACOR, INC. (US) 1995-03-23 WO claimed
EP-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP claimed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO claimed

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-20180215714-A1 A Process for Preparing Indacaterol and Salts Thereof CYP11B1, CYP4A11, CYP17A1 ANPEP 1215/4885KDM1A 2778/4885HTR2A 2543/4885
US-10227305-B2 Process for preparing indacaterol and salts thereof CYP4A11, HSD17B7, CYP17A1 ANPEP 1424/4885KDM1A 3079/4885HTR2A 2814/4885
US-10059678-B2 Process for preparing olodaterol and intermediates thereof CYP4A11, CYP11B1, CYP11B2 ANPEP 3475/4885KDM1A 3424/4885HTR2A 3644/4885

“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.