SCHEMBL4382902

SCHEMBL4382902

O=C(C=CN1CCN(C2CCCCC2)CC1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MCHR1 Q99705 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.38

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
SCHEMBL4383994 0.99 TAS1R3 (0.44) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2832627 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL4382908 0.77 OPRD1 (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL4379362 0.76 SLC2A1 (0.44) ALDH1A1KDM4ENPC1USP2LMNA
SCHEMBL14190922 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1LMNAMAPT
SCHEMBL4382905 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1LMNAMAPT
SCHEMBL4385747 0.74 MAPT (0.45) ALDH1A1KDM4ENPC1USP2LMNA
SCHEMBL4383997 0.72 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1
SCHEMBL14190937 0.72 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1
SCHEMBL4380643 0.72 MAPT (0.46) ALDH1A1KDM4ENPC1USP2LMNA

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
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-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 ALDH1A1 1907/4885KDM4E 1567/4885TAS1R3 1773/4885

“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.