SCHEMBL4429320

SCHEMBL4429320

Cn1cc2c(n1)CCC(N)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
OPRK1 P41145 1/20 0.35

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 SCHEMBL4425502 0.98 PLAU (0.39) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL15014621 0.80 HPGD (0.47) MAPTALDH1A1
SCHEMBL13885787 0.78 F2 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL4420352 0.77 F2 (0.36) ALDH1A1
SCHEMBL12424353 0.76 F2 (0.37) MAPTALDH1A1KDM4E
SCHEMBL19048402 0.75 F2 (0.38) ALDH1A1
SCHEMBL24263497 0.73 HTR2C (0.53) PLAUMAPTNFKB1THPOHIF1A
SCHEMBL22445778 0.73 TBXAS1 (0.39) HSD17B10USP2ALDH1A1KDM4E
SCHEMBL18088599 0.72 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL22469551 0.71 RIPK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 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-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 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 (1 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-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.