SCHEMBL3046909

SCHEMBL3046909

Cc1ccc(CCN(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.70
TAAR1 Q96RJ0 7/20 0.64
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
HTR6 P50406 1/20 0.46
CHRNA7 P36544 1/20 0.45
CNR2 P34972 1/20 0.44

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 SCHEMBL8508448 0.98 HRH3 (0.67) HRH3TAAR1KCNH2CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL28340007 0.95 HRH3 (0.64) HRH3TAAR1KCNH2CYP1A2CYP2A6
SCHEMBL18762839 0.89 HRH3 (0.84) HRH3TAAR1KCNH2CYP1A2CHRNA7
SCHEMBL19146986 0.86 SIGMAR1 (0.55) HRH3TAAR1KCNH2CYP1A2CYP2A6
SCHEMBL9280499 0.84 SIGMAR1 (0.64) HRH3TAAR1KCNH2CYP1A2CYP2A6
Water SCHEMBL11573228 0.81 SIGMAR1 (0.66) HRH3KCNH2
Hydrochloric Acid SCHEMBL11616768 0.81 SIGMAR1 (0.66) HRH3KCNH2
SCHEMBL1975214 0.80 HRH3 (0.70) HRH3TAAR1KCNH2CHRNA7
SCHEMBL3059072 0.80 HRH3 (0.70) HRH3TAAR1KCNH2CHRNA7
SCHEMBL3057063 0.80 HRH3 (0.70) HRH3TAAR1KCNH2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-10370356-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-08-06 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 EP disclosed
EP-2117531-B1 COMBINATION TREATMENT OF SOLID CANCERS WITH ANTIMETABOLITES AND TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2016-11-02 EP disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
EP-1525200-B1 2-(3-AMINOARYL)AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2007-10-10 EP disclosed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 US disclosed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 US disclosed
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia AB SCIENCE 2007-08-16 US disclosed
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia AB SCIENCE 2007-08-16 US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 US disclosed
WO-2007026251-A2 USE OF DUAL C-KIT/FGFR3 INHIBITORS FOR TREATING MULTIPLE MYELOMA AB SCIENCE (FR) 2007-03-08 WO disclosed
US-20070032521-A1 Use of c-kit inhibitors for treating type II diabetes AB SCIENCE 2007-02-08 US disclosed
US-20070032521-A1 Use of c-kit inhibitors for treating type II diabetes AB SCIENCE 2007-02-08 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 (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-10370356-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT HRH3 78/4885TAAR1 1352/4885KCNH2 1884/4885
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis KIT, CPA3, CMA1 HRH3 74/4885TAAR1 3781/4885KCNH2 1070/4885
US-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD HRH3 1302/4885TAAR1 742/4885KCNH2 3441/4885
US-20070032521-A1 Use of c-kit inhibitors for treating type II diabetes KIT, CPA3, CMA1 HRH3 98/4885TAAR1 3688/4885KCNH2 243/4885
US-20070191267-A1 Use of tyrosine kinase inhibitors for treating cerebral ischemia KIT, MAST3, CPA3 HRH3 139/4885TAAR1 3193/4885KCNH2 1228/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C HRH3 4467/4885TAAR1 2781/4885KCNH2 3092/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 HRH3 2523/4885TAAR1 2181/4885KCNH2 64/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 HRH3 1666/4885TAAR1 3874/4885KCNH2 4045/4885

“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.