SCHEMBL4876306

SCHEMBL4876306

c1cc(-c2ccc(C3CC4CCC(C3)N4)nn2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP2A6 P11509 3/20 0.33
CYP2B6 P20813 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
CYP2E1 P05181 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL4877165 0.82 CYP2A6 (0.49) CYP2A6CYP2B6CYP2E1MAP3K12CYP3A4
SCHEMBL4876561 0.74 RAB9A (0.45) NPC1
SCHEMBL4873529 0.74 PBRM1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24610476 0.70 MAP3K12 (0.40) MAP3K12
SCHEMBL21081197 0.70 MAP3K12 (0.40) MAP3K12
SCHEMBL1335683 0.70 HCAR2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1335684 0.70 HCAR2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21045945 0.69 MAP3K12 (0.39) MAP3K12
SCHEMBL4879918 0.69 ALDH1A1 (0.43) NPC1
SCHEMBL18958030 0.64 KCNH2 (0.54) CHEK1KCNH2

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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP claimed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 WO claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US disclosed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP disclosed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 CHRM2 17/4885CHRM4 18/4885CHRM5 25/4885

“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.