SCHEMBL4428114

SCHEMBL4428114

NC1CCc2c[nH]cc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.54
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 5/20 0.46
DRD3 P35462 5/20 0.46
OPRK1 P41145 1/20 0.46
ACHE P22303 1/20 0.37

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
SCHEMBL18134266 0.73 MAPT (0.75) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL20992186 0.73 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL4425472 0.72 NCF1 (0.34)
SCHEMBL30368725 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL29428767 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL895905 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL896147 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL42952 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL30038968 0.70 PLAU (1.00) PLAUMAPTNFKB1THPOHIF1A
Hydrochloric Acid SCHEMBL4109114 0.68 PLAU (0.95) PLAUMAPTNFKB1THPOHIF1A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014792-B1 TETRAHYDRO-2H-BENZO(C)PYRROLES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE AS THERAPEUTICALS ELI LILLY AND COMPANY (US) 1982-12-01 EP claimed
US-4235776-A USED FOR TREATMENT OF PARKINSON'S DISEASE, PROLACTIN INHIBITORS, AND DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1980-11-25 US claimed
WO-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-0014792-B1 TETRAHYDRO-2H-BENZO(C)PYRROLES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE AS THERAPEUTICALS ELI LILLY AND COMPANY (US) 1982-12-01 EP disclosed
US-4264622-A TREATMENT OF PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4235776-A USED FOR TREATMENT OF PARKINSON'S DISEASE, PROLACTIN INHIBITORS, AND DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed
EP-0014792-A1 Tetrahydro-2H-benzo(c)pyrroles, their preparation, pharmaceutical compositions containing them and the compounds for use as therapeuticals ELI LILLY AND COMPANY (US) 1980-09-03 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 (2 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 PLAU 64/4885MAPT 3554/4885NFKB1 1410/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 PLAU 69/4885MAPT 4838/4885NFKB1 1850/4885

“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.