SCHEMBL4377948

SCHEMBL4377948

O=C(COc1cccc2ccccc12)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 7/20 0.64
HSD17B10 Q99714 3/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
PREP P48147 1/20 0.55
RAB9A P51151 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPK1 P28482 2/20 0.50
ACHE P22303 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL4378942 0.99 KDM4E (0.65) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL3770333 0.90 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL2829296 0.89 KDM4E (0.62) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL27979632 0.86 ALDH1A1 (0.82) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL4383226 0.81 KDM4E (0.62) KDM4EALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL4381677 0.81 MEN1 (0.59) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4377207 0.81 KDM4E (0.59) KDM4EALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL4381637 0.80 SMN1; SMN2 (0.73) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL4377372 0.80 MEN1 (0.60) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL4378330 0.80 KDM4E (0.63) KDM4EALDH1A1MAPTHTTNPSR1

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 7 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
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-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 KDM4E 1567/4885ALDH1A1 1907/4885HSD17B10 2521/4885

“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.