SCHEMBL5231863

SCHEMBL5231863

CCOC(=O)c1cn(-c2ccccc2)nc1N(C(=O)C1CCC(C)CC1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
DRD4 P21917 1/20 0.41
CACNA2D1 P54289 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GLA P06280 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CHEK1 O14757 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
USP2 O75604 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5231854 1.00 NPSR1 (0.44) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5228332 0.92 NPSR1 (0.46) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5228327 0.92 NPSR1 (0.46) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5236305 0.90 NPSR1 (0.44) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5236674 0.90 NPSR1 (0.44) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5236668 0.90 NPSR1 (0.44) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5236316 0.90 NPSR1 (0.44) NPSR1MAPK1NPC1RAB9ADRD4
SCHEMBL5230826 0.88 CACNA2D1 (0.42) CACNA2D1ALDH1A1SMN1; SMN2USP2POLB
SCHEMBL5230831 0.88 CACNA2D1 (0.42) CACNA2D1ALDH1A1SMN1; SMN2USP2POLB
SCHEMBL5232225 0.88 NPSR1 (0.43) NPSR1MAPK1NPC1RAB9ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L NPSR1 3202/4885MAPK1 3485/4885NPC1 352/4885

“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.