SCHEMBL4380643

SCHEMBL4380643

CN(C)c1ccc(C(=O)C=CN2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
CASP3 P42574 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4385747 0.99 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2831229 0.90 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4384539 0.75 PKM (0.58) MAPTNPC1KMT2AALDH1A1KDM4E
SCHEMBL4377421 0.75 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4379062 0.74 NPC1 (0.45) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4380675 0.74 PKM (0.60) MAPTNPC1KMT2AALDH1A1KDM4E
SCHEMBL4383994 0.73 TAS1R3 (0.44) MAPTNPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4380647 0.72 GPR183 (0.57) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13636003 0.72 GPR183 (0.57) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4382902 0.72 ALDH1A1 (0.44) MAPTNPC1SMN1; SMN2ALDH1A1KDM4E

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 MAPT 1441/4885NPC1 1743/4885RAB9A 3209/4885

“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.