SCHEMBL6376648

SCHEMBL6376648

CC(C)(C)ON(C=O)NCC#Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
CYP2A6 P11509 5/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2B6 P20813 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2E1 P05181 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
USP1 O94782 2/20 0.37
WDR48 Q8TAF3 2/20 0.37
ERN1 O75460 1/20 0.37
GRM5 P41594 2/20 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
SCHEMBL7064438 0.77 CYP1A2 (0.49) CYP3A4CYP2D6CYP1A2
SCHEMBL13073855 0.71 PTPN11 (0.55) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL3613286 0.69 CYP2A6 (1.00) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL7061205 0.68 RAB9A (0.40)
SCHEMBL28415042 0.68 CYP2A6 (0.61) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL7063618 0.68 HDAC3 (0.35) CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL7110560 0.68 LMNA (0.35)
SCHEMBL3607722 0.66 CHRNB2 (0.64) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL7052162 0.66 CYP2A6 (0.68) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6
SCHEMBL5376058 0.66 CHRNB2 (0.58) CHRNB2CHRNA4CYP2A6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070544-A1 1,2,5,10-tetrahydropyridazino{4,5-b}quinoline-1,10-diones and their use for the treatment of pain ASTRAZENECA AB 2005-03-31 US disclosed
EP-1325005-A1 1,2,5,10-TETRAHYDROPYRIDAZINO 4,5-B]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-07-09 EP disclosed
WO-2002026739-A1 1,2,5,10-TETRAHYDROPYRIDAZINO[4,5-B]QUINOLINE-1,10-DIONES AND THEIR USE FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-04-04 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 (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-20050070544-A1 1,2,5,10-tetrahydropyridazino{4,5-b}quinoline-1,10-diones and their use for the treatment of pain OPRD1, OPRK1, ACHE CHRNB2 206/4885CHRNA4 93/4885CYP2A6 396/4885

“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.