SCHEMBL1828844

SCHEMBL1828844

Fc1ccc([C@H]2CCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.66
JAK3 P52333 1/20 0.49
HTR2C P28335 2/20 0.48
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MPO P05164 1/20 0.46

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
SCHEMBL2937820 1.00 HTR3A (0.66) HTR3AJAK3HTR2CSLC18A3SIGMAR1
SCHEMBL1707108 1.00 HTR3A (0.66) HTR3AJAK3HTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL1919231 0.98 HTR3A (0.63) HTR3AJAK3HTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL21201476 0.98 HTR3A (0.63) HTR3AJAK3HTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL29051162 0.98 HTR3A (0.63) HTR3AJAK3HTR2CSLC18A3SIGMAR1
SCHEMBL28298501 0.91 HTR3A (0.56) HTR3AJAK3HTR2CMPO
SCHEMBL24127465 0.90 HTR3A (0.53) HTR3AHTR2C
SCHEMBL2145333 0.90 HTR3A (0.53) HTR3AHTR2C
SCHEMBL25305280 0.90 HTR3A (0.53) HTR3AHTR2C
Oxalic Acid SCHEMBL3552533 0.89 JAK3 (0.56) HTR3AJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient DIGMBIO, Inc. (KR) 2025-11-04 US disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
CN-111936488-B Novel compounds for the treatment of parasitic infections 葛兰素史克知识产权开发有限公司 2023-06-27 CN disclosed
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT DIGMBIO. INC. (KR) 2023-01-26 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
US-11453657-B2 Compounds for the treatment of parasitic infections GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-27 US disclosed
EP-3743419-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-09-14 EP disclosed
EP-4053106-A1 ISOQUINOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION, COMPRISING SAME AS ACTIVE INGREDIENT, FOR PREVENTION OR TREATMENT OF POLY(ADP-RIBOSE)POLYMERASE-1 (PARP-1)-ASSOCIATED DISEASE Digmbio. Inc. (KR) 2022-09-07 EP disclosed
CN-114929673-A Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for preventing or treating poly (ADP-ribose) polymerase 1(PARP-1) -related diseases comprising the same as active ingredient 多临生物株式会社 2022-08-19 CN disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
CN-101420959-A Use of 2- (purin-9-yl) -tetrahydrofuran-3, 4-diol derivatives as adenosine A2A receptor agonists NOVARTIS AG (CH) 2009-04-29 CN disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
WO-2008101953-A1 COMPOUNDS OF FORMULA (I) AS SERINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
CN-101128473-A Adenosine derivatives having a2a receptor activity NOVARTIS AG (CH) 2008-02-20 CN disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
CN-1150165-C 1-arylsulfonyl-2-aryl-pyrrolidine derivatives for the treatment of central nervous system disorders - 2004-05-19 CN disclosed
CN-1345311-A 1-arenesulfonyl-2-aryl-pyrolidine and piperidine derivatives for treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2002-04-17 CN 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 (6 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HTR3A 43/4885JAK3 1252/4885HTR2C 81/4885
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient PARP1, PARP2, PARP11 HTR3A 2632/4885JAK3 4644/4885HTR2C 3550/4885
US-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 HTR3A 4645/4885JAK3 2000/4885HTR2C 4693/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 HTR3A 4363/4885JAK3 2730/4885HTR2C 4537/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HTR3A 4363/4885JAK3 2730/4885HTR2C 4537/4885
US-20230027362-A1 ISOQUINOLINONE DERIVATIVES, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING POLY(ADP-RIBOSE) POLYMERASE-1-RELATED DISEASES, COMPRISING THE SAME AS ACTIVE INGREDIENT PARP1, PARP2, PARP11 HTR3A 2632/4885JAK3 4644/4885HTR2C 3550/4885

“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.