SCHEMBL2943075

SCHEMBL2943075

CC(C)(C)OC(=O)NCC1(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 3/20 0.37
APLNR P35414 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL15285632 0.93 HCRTR2 (0.42) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL29713169 0.93 HCRTR2 (0.42) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL7591113 0.91 EPHX1 (0.43) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL16846897 0.89 HCRTR2 (0.45) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL20980330 0.85 HCRTR2 (0.40) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL14690510 0.84 HCRTR2 (0.44) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL16846705 0.82 HCRTR2 (0.43) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL14704752 0.82 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL31432022 0.81 HCRTR2 (0.41) HCRTR2TDP1MAOAMAOBMEN1
SCHEMBL27343898 0.81 HCRTR2 (0.41) HCRTR2TDP1MAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655260-B2 Heterocyclic compounds as arginase inhibitors GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2023-05-23 US disclosed
US-11655260-B2 Heterocyclic compounds as arginase inhibitors GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2023-05-23 US disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20220251116-A1 ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-08-11 US disclosed
US-20200325161-A1 HETEROCYCLIC COMPOUNDS AS ARGINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-10-15 US disclosed
US-20200325161-A1 HETEROCYCLIC COMPOUNDS AS ARGINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-10-15 US disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
WO-2014099586-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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 (10 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HCRTR2 4673/4885TDP1 2111/4885MAOA 2505/4885
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 HCRTR2 2851/4885TDP1 218/4885MAOA 1240/4885
US-11655260-B2 Heterocyclic compounds as arginase inhibitors ARG1, ARG2, PRMT1 HCRTR2 519/4885TDP1 494/4885MAOA 169/4885
US-20220251116-A1 ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS ARG1, ARG2, PADI6 HCRTR2 1319/4885TDP1 493/4885MAOA 242/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 HCRTR2 3274/4885TDP1 619/4885MAOA 3101/4885
US-20200325161-A1 HETEROCYCLIC COMPOUNDS AS ARGINASE INHIBITORS ARG1, ARG2, PRMT1 HCRTR2 519/4885TDP1 494/4885MAOA 169/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 HCRTR2 4687/4885TDP1 2117/4885MAOA 2610/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X HCRTR2 4671/4885TDP1 3816/4885MAOA 2063/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 HCRTR2 4623/4885TDP1 2206/4885MAOA 3284/4885
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS TYMP, TYMS, PNPO HCRTR2 4024/4885TDP1 47/4885MAOA 999/4885

“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.