SCHEMBL4377416

SCHEMBL4377416

O=C(CSc1ccc(F)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HRH3 Q9Y5N1 3/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
UBE2N P61088 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL4377232 0.99 ALDH1A1 (0.54) PKMALDH1A1GAAL3MBTL1NPC1
SCHEMBL2833292 0.90 L3MBTL1 (0.58) PKMALDH1A1GAAL3MBTL1NPC1
SCHEMBL9527356 0.82 RAB9A (0.69) PKMALDH1A1GAAL3MBTL1NPC1
SCHEMBL4378474 0.81 KDM4E (0.61) ALDH1A1GAAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL4377596 0.81 USP2 (0.51) ALDH1A1NPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL4380926 0.80 KDM4E (0.60) ALDH1A1GAAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL4378548 0.80 USP2 (0.52) ALDH1A1L3MBTL1NPC1SMN1; SMN2KDM4E
SCHEMBL4378928 0.76 KDM4E (0.73) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL4378521 0.75 KDM4E (0.71) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL4375794 0.74 NPC1 (0.70) ALDH1A1GAAL3MBTL1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 PKM 2476/4885ALDH1A1 1907/4885GAA 2830/4885

“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.