SCHEMBL1477941

SCHEMBL1477941

CC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.46
HSD17B3 P37058 3/20 0.46
P2RX4 Q99571 4/20 0.45
P2RX1 P51575 3/20 0.45
P2RX3 P56373 3/20 0.45
P2RX7 Q99572 2/20 0.45
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN4A P35499 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
AMPD2 Q01433 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL29288485 0.84 HSD17B3 (0.39) NOTUMHSD17B3P2RX4P2RX1P2RX3
SCHEMBL3375661 0.84 P2RX4 (0.44) HSD17B3P2RX4P2RX1P2RX3P2RX7
SCHEMBL29376182 0.84 P2RX4 (0.44) HSD17B3P2RX4P2RX1P2RX3P2RX7
SCHEMBL1286806 0.82 LMNA (0.55) HSD17B3P2RX4P2RX1P2RX3P2RX7
SCHEMBL3838005 0.81 NOTUM (0.49) NOTUMHSD17B3
SCHEMBL27785934 0.81 P2RX4 (0.58) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL3241414 0.81 P2RX4 (0.42) HSD17B3P2RX4P2RX1P2RX3P2RX7
Hydrochloric Acid SCHEMBL28145471 0.81 LMNA (0.53) HSD17B3P2RX4P2RX1P2RX3P2RX7
SCHEMBL8705933 0.79 P2RX4 (0.57) P2RX4SMN1; SMN2NPSR1LMNATSHR
SCHEMBL7035186 0.79 LMNA (0.47) P2RX4P2RX1P2RX3P2RX7PTBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423739-B Improved enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts and additives 拜耳公司 2024-06-25 CN disclosed
CN-114514223-B Process for enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines comprising using novel iridium catalysts 拜耳公司 2024-05-17 CN disclosed
WO-2024041976-A1 PROCESS FOR DISTILLATIVE RECOVERY OF 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL (HFIP) FROM MIXTURES WITH 4- SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES BAYER AKTIENGESELLSCHAFT (DE) 2024-02-29 WO disclosed
CN-111902399-B Enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts 拜耳公司 2023-11-28 CN disclosed
EP-3774735-B1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST BAYER AG (DE) 2023-09-13 EP disclosed
EP-4112602-A1 ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES IN PRESENCE OF A CHIRAL IRIDIUM CATALYST Bayer Aktiengesellschaft (DE) 2023-01-04 EP disclosed
EP-4034528-A1 PROCESS COMPRISING THE USE OF NEW IRIDIUM CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES Bayer Aktiengesellschaft (DE) 2022-08-03 EP disclosed
CN-114514223-A Process comprising enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines using a novel iridium catalyst 拜耳公司 2022-05-17 CN disclosed
CN-114423739-A Improved enantioselective hydrogenation of 4-substituted 1, 2-dihydroquinolines in the presence of chiral iridium catalysts and additives 拜耳公司 2022-04-29 CN disclosed
WO-2021058458-A1 PROCESS COMPRISING THE USE OF NEW IRIDIUM CATALYSTS FOR ENANTIOSELECTIVE HYDROGENATION OF 4-SUBSTITUTED 1,2-DIHYDROQUINOLINES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-01 WO disclosed
CN-1264839-C Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-19 CN disclosed
US-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-10-27 US disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
CN-1494545-A Non-nucleoside reverse transcriptase inhibitors ά 2004-05-05 CN disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 US disclosed
US-5627192-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS OR ANTIOXIDANTS BRISTROL-MYERS SQUIBB COMPANY (US) 1997-05-06 US disclosed
US-5411969-A Antihyperlipidemic/antioxidant dihydroquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-02 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-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, TYMP, PNP NOTUM 712/4885HSD17B3 1010/4885P2RX4 3655/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 NOTUM 848/4885HSD17B3 949/4885P2RX4 4775/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 NOTUM 848/4885HSD17B3 949/4885P2RX4 4775/4885

“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.