SCHEMBL6766831

SCHEMBL6766831

CN(C)CCCNC(=O)c1ccccc1Oc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
KDM4E B2RXH2 2/20 0.61
KCNH2 Q12809 2/20 0.61
CYP2D6 P10635 2/20 0.61
GUCY1B2 O75343 1/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
GUCY1A2 P33402 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
GUCY1A1 Q02108 1/20 0.61
GUCY1B1 Q02153 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61

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
SCHEMBL6764315 0.94 KDM4E (0.58) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6762222 0.84 KDM4E (0.56) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6760247 0.82 SMN1; SMN2 (0.51) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL6763555 0.80 CNR1 (0.56) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6764331 0.80 KDM4E (0.46) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6760280 0.79 KDM4E (0.56) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6762228 0.79 ACKR3 (0.47) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6763004 0.77 MEN1 (0.47) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
SCHEMBL6762478 0.77 USP30 (0.44) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2
Benzydamine SCHEMBL29376229 0.77 HRH3 (1.00) CYP1A2KDM4EKCNH2CYP2D6GUCY1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US claimed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 WO claimed
US-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US disclosed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase GUCY1B1, GUCY1A1, GUCY1A2 CYP1A2 199/4885KDM4E 2813/4885KCNH2 853/4885

“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.