SCHEMBL4876561

SCHEMBL4876561

c1csc(-c2ccc(C3CC4CCC(C3)N4)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.45
NPC1 O15118 10/20 0.45
KLF5 Q13887 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 8/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
HCRTR1 O43613 1/20 0.38
PPARG P37231 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
SMARCA2 P51531 1/20 0.36

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
SCHEMBL4883491 0.82 GRIN1 (0.37) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4876306 0.74 CHRM2 (0.34) NPC1
SCHEMBL24610476 0.73 MAP3K12 (0.40) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL21081197 0.73 MAP3K12 (0.40) MEN1KMT2AALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL21045945 0.72 MAP3K12 (0.39) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL4879918 0.71 ALDH1A1 (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1334010 0.70 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1334007 0.70 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4873529 0.69 PBRM1 (0.35) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL12608094 0.67 MEN1 (0.54) RAB9ANPC1KLF5MEN1KMT2A

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 RAB9A 2853/4885NPC1 1166/4885KLF5 3288/4885

“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.