SCHEMBL4379062

SCHEMBL4379062

CN(C)c1ccc(C(=O)C=CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
MAPT P10636 9/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
CASP3 P42574 1/20 0.45
CYP1B1 Q16678 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 6/20 0.43
USP2 O75604 3/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL4377394 0.77 ALDH1A1 (0.51) NPC1MAPTKMT2ACYP1B1CYP3A4
SCHEMBL4378526 0.74 ROCK2 (0.51) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4377421 0.74 MAPT (0.46) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4380643 0.74 MAPT (0.46) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4379362 0.74 SLC2A1 (0.44) NPC1RAB9AMAPTSMN1; SMN2CYP3A4
SCHEMBL4386751 0.73 GPR183 (0.56) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL13636194 0.73 GPR183 (0.56) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4385747 0.73 MAPT (0.45) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL4378382 0.73 HRH3 (0.53) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL4376233 0.72 TSHR (0.51) NPC1RAB9AMAPTSMN1; SMN2CYP1B1

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

“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.