SCHEMBL8307596

SCHEMBL8307596

CC(C)(C)OC(=O)Nc1cccc(CCl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
LCK P06239 3/20 0.41
SCN9A Q15858 4/20 0.39
NR3C2 P08235 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
GLS O94925 1/20 0.39
CYP17A1 P05093 1/20 0.39
ATR Q13535 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK8 P45983 1/20 0.38
PDE5A O76074 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL465792 0.87 CCR2 (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL30396325 0.87 CCR2 (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL4076010 0.87 CHRNB2 (0.51) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL1022260 0.86 GLS (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL21198393 0.86 CCR2 (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL29988292 0.86 GLS (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL2827164 0.86 GLS (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL6681771 0.86 CCR2 (0.42) CCR2LCKSCN9ANR3C2CHRNB2
SCHEMBL29394473 0.85 LCK (0.47) LCKMEN1NPC1GAARAB9A
SCHEMBL20098837 0.84 CDK5 (0.44) CCR2LCKSCN9ANR3C2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US claimed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP claimed
US-12492183-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents MERCK SHARP & DOHME LLC (US) 2025-12-09 US disclosed
US-20240043402-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2024-02-08 US disclosed
WO-2022213980-A1 TYK2 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-10-13 WO disclosed
WO-2022125412-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME CORP. (US) 2022-06-16 WO disclosed
WO-2022125412-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME CORP. (US) 2022-06-16 WO disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
EP-2546235-B1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO (JP) 2019-05-22 EP disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
CN-103003252-A Process for the preparation of 5-substituted 1-alkyltetrazolyl oxime derivatives BAYER IP GMBH 2013-03-27 CN disclosed
EP-2557078-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME Nippon Soda Co., Ltd. (JP) 2013-02-13 EP disclosed
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NIPPON SODA CO., LTD. (JP) 2013-01-24 US disclosed
EP-2546235-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS Nippon Soda Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS NIPPON SODA CO., LTD. (JP) 2013-01-03 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
WO-2012082566-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 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-12492183-B2 Tetrahydroquinazoline derivatives as selective cytotoxic agents ACIN1, CD4, NFATC1 CCR2 2422/4885LCK 443/4885SCN9A 3743/4885
US-20130005981-A1 PROCESS FOR PREPARATION OF t-BUTOXYCARBONYLAMINE COMPOUNDS BPGM, TST, BET1 CCR2 4493/4885LCK 2456/4885SCN9A 2089/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 CCR2 3/4885LCK 457/4885SCN9A 2926/4885
US-20240043402-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS ACIN1, CD4, NFATC1 CCR2 2422/4885LCK 443/4885SCN9A 3743/4885
US-20130023664-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME NOS1, NOS2, NOS3 CCR2 3556/4885LCK 2739/4885SCN9A 772/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CCR2 3736/4885LCK 2586/4885SCN9A 3495/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885LCK 457/4885SCN9A 2926/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 CCR2 3/4885LCK 457/4885SCN9A 2926/4885

“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.