SCHEMBL2803853

SCHEMBL2803853

NC1CCN(CCF)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
SPHK1 Q9NYA1 1/20 0.40
ALOX15 P16050 1/20 0.38
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
PRMT1 Q99873 2/20 0.32
PRMT8 Q9NR22 2/20 0.32
PRMT3 O60678 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
NCF1 P14598 1/20 0.31
ACE2 Q9BYF1 1/20 0.30
LTA4H P09960 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
Hydrochloric Acid SCHEMBL2293794 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1ALOX15
Hydrochloric Acid SCHEMBL2300838 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1ALOX15
SCHEMBL1811696 0.86
SCHEMBL1700065 0.86
SCHEMBL1808141 0.86
SCHEMBL5324155 0.86 GNAI3 (0.57) GNAI3GNAO1GNAI1SPHK1ALOX15
SCHEMBL3973508 0.82 ALOX15 (0.60) GNAI3GNAO1GNAI1SPHK1ALOX15
Hydrochloric Acid SCHEMBL3673025 0.80 ALOX15 (0.57) GNAI3GNAO1GNAI1SPHK1ALOX15
SCHEMBL23568412 0.79
SCHEMBL3966764 0.78 GNAI3 (0.59) GNAI3GNAO1GNAI1SPHK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO claimed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 US disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 WO disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
WO-2023110700-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-22 WO disclosed
EP-3755696-B1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2023-04-05 EP disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2007134127-A2 AGENTS FOR IMAGING APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-11-22 WO disclosed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1845973-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide ASTEX THERAPEUTICS LIMITED (GB) 2006-08-31 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 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 (5 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-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide CDK1, CDK3, ROS1 GNAI3 882/4885GNAO1 686/4885GNAI1 1299/4885
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 GNAI3 1473/4885GNAO1 1989/4885GNAI1 2207/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 GNAI3 175/4885GNAO1 110/4885GNAI1 98/4885
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 GNAI3 206/4885GNAO1 524/4885GNAI1 118/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 GNAI3 874/4885GNAO1 1247/4885GNAI1 828/4885

“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.