SCHEMBL11997024

SCHEMBL11997024

CC1c2ccccc2CN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
RGS12 O14924 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PRCP P42785 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18559580 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10278431 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL19258224 0.79 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL811761 0.79 PRCP (0.61) PRCP
SCHEMBL8023492 0.79 PRCP (0.61) PRCP
SCHEMBL8021507 0.79 PRCP (0.61) PRCP
SCHEMBL24506195 0.77 MAPT (0.42) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL15222070 0.76 PRCP (0.49) PRCPCHRM1
SCHEMBL12921565 0.75 DRD4 (0.45) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL14985698 0.75 DRD4 (0.45) SLC6A2SLC6A4SLC6A3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023011629-A1 PYRROLIDONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-02-09 WO disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
EP-3203840-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2020-08-05 EP disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261233-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 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 (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-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION HAVCR2, EIF2AK2, MAVS SLC6A2 3835/4885SLC6A4 3694/4885SLC6A3 3720/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A SLC6A2 173/4885SLC6A4 208/4885SLC6A3 267/4885
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR SLC6A2 3168/4885SLC6A4 2688/4885SLC6A3 2108/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 SLC6A2 1083/4885SLC6A4 917/4885SLC6A3 774/4885

“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.