SCHEMBL4380647

SCHEMBL4380647

CN(C)c1ccc(C=CC(=O)N2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 3/20 0.57
HSD17B3 P37058 1/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 7/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 3/20 0.46
CCR2 P41597 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13636003 1.00 GPR183 (0.57) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL4385749 0.99 GPR183 (0.56) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL14190921 0.99 GPR183 (0.56) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL2831231 0.90 GPR183 (0.54) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL29259756 0.81 GAA (0.64) GPR183MAPTALDH1A1LMNATP53
SCHEMBL29259476 0.81 GPR183 (0.68) GPR183
SCHEMBL1612928 0.79 HSD17B3 (0.61) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL1612931 0.79 HSD17B3 (0.61) GPR183HSD17B3MAPTALDH1A1LMNA
SCHEMBL14218064 0.78 GPR183 (0.71) GPR183HSD17B3MAPTALDH1A1MEN1
SCHEMBL4384542 0.75 PKM (0.58) GPR183MAPTALDH1A1KMT2AGAA

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 GPR183 264/4885HSD17B3 1349/4885MAPT 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.