SCHEMBL2178294

SCHEMBL2178294

c1ccc(-n2cc3c(n2)CCNC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.46
▸ PNMT P11086 1/20 0.43
▸ CD44 P16070 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HTR2B P41595 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ S1PR1 P21453 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OGA O60502 1/20 0.37
▸ PARP1 P09874 2/20 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
Hydrochloric Acid SCHEMBL12540386 0.98 HTR2C (0.44) HTR2CPNMTCD44MAOBHTR2B
SCHEMBL1171436 0.89 HTR2C (0.57) HTR2CHTR2BHTR2AHTR6HTR3E
SCHEMBL29935595 0.87 HTR2C (0.46) HTR2CPNMTCD44MAOBHTR2B
SCHEMBL12478204 0.85 PTGS2 (0.39) SMN1; SMN2PTGS2ESR2AADAT
SCHEMBL15533052 0.84 OGA (0.39) HTR2CHTR2BHTR2AS1PR1OGA
SCHEMBL18131953 0.84 CHRNB2 (0.42) S1PR1POLBSMN1; SMN2
SCHEMBL15533041 0.83 NOTUM (0.41) HTR2CHTR2BS1PR1SIGMAR1PARP1
SCHEMBL16852982 0.82 DRD2 (0.45) HTR2CPNMTHTR2BHTR2AS1PR1
SCHEMBL15533393 0.81 HTR3E (0.45) HTR2CHTR2BHTR2AS1PR1HTR3E
Hydrochloric Acid SCHEMBL17202420 0.80 HTR3E (0.44) HTR2CHTR2BHTR2AS1PR1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 — — US disclosed
EP-3672958-B1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-08-02 — — EP disclosed
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-20200289516-A1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2020-09-17 — — US disclosed
EP-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 — — EP disclosed
WO-2019037861-A1 ANNULATED GLYCOSIDASE INHIBITORS Asceneuron S.A. (CH) 2019-02-28 — — WO disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 — — US disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 — — US 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
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 — — US disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 — — US disclosed
US-20140275061-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-18 — — US disclosed
EP-2766345-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-08-20 — — EP disclosed
WO-2013169964-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2013-11-14 — — WO disclosed
WO-2013055984-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 — — WO disclosed
EP-2513108-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 — — EP disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 — — WO disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 — — WO disclosed
EP-1305048-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES Wockhardt Limited (IN) 2003-05-02 — — EP disclosed
WO-2002009758-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES WOCKHARDT LIMITED (IN) 2002-02-07 — — 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-20200289516-A1 ANNULATED GLYCOSIDASE INHIBITORS GAA, GBA3, ENGASE HTR2C 4006/4885PNMT 1443/4885CD44 2449/4885
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 HTR2C 1391/4885PNMT 3717/4885CD44 4689/4885
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU HTR2C 11/4885PNMT 9/4885CD44 4730/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 HTR2C 1202/4885PNMT 4018/4885CD44 4686/4885
US-20140275061-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HTR2C 982/4885PNMT 2887/4885CD44 4844/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU HTR2C 11/4885PNMT 9/4885CD44 4730/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 HTR2C 982/4885PNMT 2887/4885CD44 4844/4885
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLI1, SHH, GLI2 HTR2C 1579/4885PNMT 1043/4885CD44 2497/4885

“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.

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