SCHEMBL880579

SCHEMBL880579

NC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
ALDH1A1 P00352 2/20 0.74
GAA P10253 1/20 0.74
EPHX1 P07099 1/20 0.63
DPP4 P27487 7/20 0.60
DPP7 Q9UHL4 7/20 0.60
KCNH2 Q12809 4/20 0.60
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSK P43235 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CPB1 P15086 1/20 0.53
TLR4 O00206 1/20 0.52

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
SCHEMBL760630 1.00 TSHR (0.75) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL1192792 1.00 TSHR (0.75) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL2281880 0.99 TSHR (0.73) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948461 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL381922 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948456 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL8324876 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL21198114 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL14981586 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.91 ALDH1A1 (0.83) TSHRALDH1A1GAAEPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720044-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD Beactica Therapeutics AB (SE) 2026-04-08 EP disclosed
EP-3941919-B1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH INC (US) 2025-12-24 EP disclosed
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use GENENTECH, INC. (US) 2025-07-01 US disclosed
US-20250145594-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2025-05-08 US disclosed
US-20250057827-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-02-20 US disclosed
WO-2024240840-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD BEACTICA THERAPEUTICS AB (SE) 2024-11-28 WO disclosed
CN-112566697-B Pyrrolo [1,2-b ] pyridazine derivatives as IRAK4 inhibitors 吉利德科学公司 2024-04-16 CN disclosed
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 EP disclosed
WO-2023161875-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161875-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US disclosed
WO-2005095339-A1 DICYANOPYRROLIDINES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 TSHR 1574/4885ALDH1A1 1013/4885GAA 1575/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TSHR 156/4885ALDH1A1 2036/4885GAA 484/4885
US-20250145594-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 3690/4885ALDH1A1 2882/4885GAA 1937/4885
US-20250057827-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS CYTH2, CYTH3, CD47 TSHR 2659/4885ALDH1A1 4431/4885GAA 2345/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD TSHR 2703/4885ALDH1A1 1912/4885GAA 2654/4885

“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.