SCHEMBL4873529

SCHEMBL4873529

c1cc(-c2ccc(C3CC4CCC(C3)N4)nn2)co1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
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
MAPT P10636 1/20 0.33
CHEK1 O14757 1/20 0.33
MAP3K12 Q12852 1/20 0.33
CYP1A2 P05177 4/20 0.32
MEN1 O00255 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALOX15 P16050 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL21081197 0.70 MAP3K12 (0.40) MAP3K12MEN1KMT2AALDH1A1
SCHEMBL24610476 0.70 MAP3K12 (0.40) MAP3K12MEN1KMT2AALDH1A1
SCHEMBL1333420 0.70 SLC6A4 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1333422 0.70 SLC6A4 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21045945 0.69 MAP3K12 (0.39) MAP3K12MEN1KMT2AALDH1A1
SCHEMBL4876561 0.69 RAB9A (0.45) PBRM1MAPTMEN1KMT2AHSD17B10
SCHEMBL18958030 0.64 KCNH2 (0.54) CHEK1KCNH2
SCHEMBL29818015 0.64 PBRM1 (0.43) PBRM1MAPTCYP1A2MEN1CYP3A4
SCHEMBL14872151 0.64 STING1 (0.40) PBRM1MAPTMEN1KMT2AALDH1A1
SCHEMBL928155 0.61 CHRNA7 (0.67) KCNH2

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 PBRM1 4597/4885CHRM2 17/4885CHRM4 18/4885

“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.