SCHEMBL3843373

SCHEMBL3843373

COC1=N[C@H](C(=O)O)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30

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
SCHEMBL21383442 1.00 CYP1A2 (0.30) CYP1A2
SCHEMBL433180 0.82 POLB (0.33) CYP1A2
SCHEMBL907524 0.82 POLB (0.33) CYP1A2
SCHEMBL16753231 0.77 PPM1B (0.33)
SCHEMBL7625468 0.77 MEN1 (0.38)
SCHEMBL2466804 0.72
SCHEMBL16635021 0.72
SCHEMBL5901595 0.72
SCHEMBL5901602 0.72
SCHEMBL31585483 0.72 CHRM2 (0.33) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397664-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-07-10 EP disclosed
CN-117916245-A Pyrimidine ring compound and preparation method and application thereof 劲方医药科技(上海)有限公司 2024-04-19 CN disclosed
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 US disclosed
WO-2022194245-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-22 WO disclosed
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2021-07-22 US disclosed
EP-3768256-A1 PAN-TROPIC ENTRY INHIBITORS Emory University (US) 2021-01-27 EP disclosed
EP-2274296-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
EP-2276756-B9 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-08-15 EP disclosed
EP-2485595-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORPORATION (US) 2012-08-09 US disclosed
WO-2012010862-A3 IMPROVED COMBUSTIBLE COMPOSITION RECKITT BENCKISER SOUTH AFRICA (PTY) LIMITED (ZA) 2012-05-10 WO disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 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 (8 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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 CYP1A2 4527/4885
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors F2, F13B, SERPINE1 CYP1A2 232/4885
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP1A2 152/4885
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 CYP1A2 179/4885
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT ADRB2, ADRB3, ADRA2A CYP1A2 514/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 CYP1A2 4638/4885
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 CYP1A2 232/4885
US-11708371-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 CYP1A2 179/4885

“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.