SCHEMBL52343

SCHEMBL52343

CC1(C)CN=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
NOTUM Q6P988 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
SCHEMBL29666271 1.00 HTR2A (0.31) HTR2ANOTUM
SCHEMBL24124845 0.80
SCHEMBL29360641 0.79 SIGMAR1 (0.37)
SCHEMBL14817223 0.75
SCHEMBL30024117 0.75
SCHEMBL29516288 0.75
Hydrochloric Acid SCHEMBL29791533 0.73
SCHEMBL30271241 0.73 KDM4E (0.32)
SCHEMBL30090202 0.72 ADORA3 (0.31)
SCHEMBL30498729 0.72 NOTUM (0.33) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110087466-A ACTIVE COMPOUND COMBINATIONS 拜耳作物科学股份公司 2019-08-02 CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN claimed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 US disclosed
EP-2899183-B1 Substituted Tetrahydroisoquinoline Compounds as Factor Xia Inhibitors BRISTOL MYERS SQUIBB CO (US) 2018-09-19 EP disclosed
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
CN-107849014-A A kind of biphenyl derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN disclosed
US-9725435-B2 Substituted 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
EP-1896420-B1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2017-01-18 EP disclosed
EP-1206515-B1 FORMULATION COMPONENTS RESISTANT TOWARDS DECOMPOSITION BY AROMATIZATION, COMPOSITIONS AND LAUNDRY METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2006-04-12 EP disclosed
CN-1639162-A Pyrido(2,1-a)isoquinoline derivatives as DPP-IV inhibitors HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed
US-20050113246-A1 Process of producing an organic catalyst THE PROCTER & GAMBLE COMPANY 2005-05-26 US disclosed
WO-2005047264-A1 PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO disclosed
EP-1206515-A1 FORMULATION COMPONENTS RESISTANT TOWARDS DECOMPOSITION BY AROMATIZATION, COMPOSITIONS AND LAUNDRY METHODS EMPLOYING SAME The Procter & Gamble Company (US) 2002-05-22 EP disclosed
US-6358974-B1 USED AS AS MODULATORS OF DOPAMINE D.SUB.3 RECEPTORS, IN THERAPY AS ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-19 US disclosed
EP-1137638-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-04 EP disclosed
WO-2001016273-A1 FORMULATION COMPONENTS RESISTANT TOWARDS DECOMPOSITION BY AROMATIZATION, COMPOSITIONS AND LAUNDRY METHODS EMPLOYING SAME THE PROCTER & GAMBLE COMPANY (US) 2001-03-08 WO disclosed
WO-2000024717-A2 ISOQUINOLINE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-04 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 (4 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-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 HTR2A 2907/4885NOTUM 1548/4885
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HTR2A 1482/4885NOTUM 781/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 HTR2A 1194/4885NOTUM 559/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HTR2A 1482/4885NOTUM 781/4885

“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.