SCHEMBL3972286

SCHEMBL3972286

Clc1ccc2cc3c(cc2n1)OCCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MAPT P10636 7/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
KLK7 P49862 1/20 0.38
KLK14 Q9P0G3 1/20 0.38
KLK5 Q9Y337 1/20 0.38
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 3/20 0.37
PKM P14618 3/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL527950 0.89 KDM4E (0.43) RPS6KB2PDE10AMAPTKDM4EALDH1A1
SCHEMBL21400937 0.77 RPS6KB2 (0.44) RPS6KB2PDE10AMAPTKDM4EALDH1A1
SCHEMBL21642575 0.73 MAPT (0.50) RPS6KB2MAPTKDM4EALDH1A1GAA
SCHEMBL19844887 0.69 ITGB2 (0.37) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL15058403 0.69 RAB9A (0.47) RPS6KB2MAPTKDM4EALDH1A1GAA
SCHEMBL16372681 0.67 NPC1 (0.58) MAPTKDM4EALDH1A1GAARXFP1
SCHEMBL5859819 0.67 CYP1A2 (0.57) MAPTKDM4EALDH1A1GAARXFP1
SCHEMBL25284715 0.67 KDM4E (0.38) RPS6KB2MAPTKDM4EALDH1A1GAA
SCHEMBL2581803 0.67 ALDH1A1 (0.38) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11004060 0.67 PIK3CD (0.38) KDM4EALDH1A1RAB9ANPC1HPGD

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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 RPS6KB2 2393/4885PDE10A 4362/4885MAPT 2646/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 RPS6KB2 2393/4885PDE10A 4362/4885MAPT 2646/4885

“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.