SCHEMBL855087

SCHEMBL855087

Clc1ncnc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
OPRK1 P41145 2/20 0.35
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACHE P22303 7/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
BCHE P06276 1/20 0.33
CHRM1 P11229 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL30666837 1.00 TSHR (0.37) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL19827177 0.98 TSHR (0.36) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL929527 0.98 TSHR (0.36) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL15428812 0.98 TSHR (0.36) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL14922866 0.98 TSHR (0.36) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL191834 0.95 TSHR (0.37) TSHRMAPK1NSD2SMN1; SMN2OPRK1
SCHEMBL14394512 0.83 TSHR (0.32) TSHROPRK1POLBRXFP1
SCHEMBL1013730 0.77 HTR2C (0.38) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1017059 0.75 HTR2C (0.37) HTR2AHTR2CHTR2B
SCHEMBL9433900 0.73 TSHR (0.37) TSHRMAPK1ACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
US-20230128765-A1 Small Molecule Activators of Parkin Enzyme Function MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-04-27 US disclosed
US-20230128765-A1 Small Molecule Activators of Parkin Enzyme Function MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2023-04-27 US disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-20190169158-A1 Small Molecule Activators of Parkin Enzyme Function MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-06-06 US disclosed
WO-2018023029-A1 SMALL MOLECULE ACTIVATORS OF PARKIN ENZYME FUNCTION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-01 WO disclosed
EP-0719259-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1996013487-A1 HETEROCYCLYLAMINO AND HETEROCYCLYLOXY-CYCLOALKENYL DERIVATIVES AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-05-09 WO disclosed
WO-1995007894-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
EP-0631575-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-01-04 EP disclosed
EP-0605552-A1 SUBSTITUED 4-ALKOXYPYRIMIDINES, A PROCESS FOR PREPARING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS PEST CONTROL AGENTS Hoechst Schering AgrEvo GmbH (DE) 1994-07-13 EP disclosed
WO-1993019050-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1993-09-30 WO disclosed
US-5236924-A Controlling plant diseases SUMITOMO CHEMICAL CO., LTD. (JP) 1993-08-17 US disclosed
WO-1993006091-A1 SUBSTITUED 4-ALKOXYPYRIMIDINES, A PROCESS FOR PREPARING THE SAME, AGENTS CONTAINING THE SAME AND THEIR USE AS PEST CONTROL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed
EP-0534341-A1 4-Alkoxypyrimidin derivatives, process for their preparation, agent containing them and their use as parasiticides Hoechst Schering AgrEvo GmbH (DE) 1993-03-31 EP disclosed
EP-0467760-A1 Pyrimidine derivatives, methods for producing them, and fungicides, insecticides and/or acaricides containing them as active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-22 EP 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 TSHR 2897/4885MAPK1 1157/4885NSD2 4271/4885
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 TSHR 4680/4885MAPK1 2694/4885NSD2 512/4885
US-20190169158-A1 Small Molecule Activators of Parkin Enzyme Function UCHL1, ADRM1, UCHL5 TSHR 4431/4885MAPK1 2440/4885NSD2 3664/4885
US-20230128765-A1 Small Molecule Activators of Parkin Enzyme Function UCHL1, ADRM1, UCHL5 TSHR 4474/4885MAPK1 2444/4885NSD2 3663/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 TSHR 4681/4885MAPK1 2555/4885NSD2 490/4885

“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.