SCHEMBL2634720

SCHEMBL2634720

O=C(O)N[C@H]1CCC(=O)NC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.37
DDB1 Q16531 4/20 0.37
IL1B P01584 1/20 0.34
BTK Q06187 1/20 0.34
SCN9A Q15858 1/20 0.34
IKZF3 Q9UKT9 1/20 0.33
SLC5A1 P13866 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32
RIPK1 Q13546 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL27171847 1.00 CRBN (0.37) CRBNDDB1IL1BBTKSCN9A
SCHEMBL21178442 1.00 CRBN (0.37) CRBNDDB1IL1BBTKSCN9A
SCHEMBL12678516 0.83 TLR4 (0.44) CRBNDDB1IL1BSCN9AIKZF3
SCHEMBL13853776 0.80 G6PD (0.34) CRBNDDB1IL1BBTKSCN9A
SCHEMBL23275332 0.80 IDO1 (0.43) BTKSCN9AIDO1
SCHEMBL4328102 0.80 IDO1 (0.43) BTKSCN9AIDO1
SCHEMBL16467987 0.80 IDO1 (0.43) BTKSCN9AIDO1
SCHEMBL382915 0.75 EPHX2 (0.52) BTK
SCHEMBL24096964 0.75 EPHX2 (0.52) BTK
SCHEMBL26696840 0.75 EPHX2 (0.52) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 US disclosed
US-7414045-B2 Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-08-19 US disclosed
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors MSD ITALIA S.R.L. (IT) 2008-07-24 US disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 US disclosed
EP-1578748-A1 TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-09-28 EP disclosed
WO-2004058756-A1 TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2004-07-15 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 (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-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors TYMS, TYMP, HPRT1 CRBN 3212/4885DDB1 1288/4885IL1B 2170/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD CRBN 3346/4885DDB1 1481/4885IL1B 2011/4885

“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.