SCHEMBL4378240

SCHEMBL4378240

CCOc1ccc(Br)cc1C(=O)C=CN1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 1/20 0.41
NR4A1 P22736 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4391635 0.86 NPC1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTALOX15
SCHEMBL4378980 0.81 AR (0.47) ARALDH1A1SMN1; SMN2MAPTDRD3
SCHEMBL4383151 0.80 AR (0.45) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4380837 0.79 AR (0.44) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4381900 0.78 HCN1 (0.46) ARALDH1A1LMNAMAPTALOX15
SCHEMBL2833290 0.77 AR (0.44) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13636356 0.76 ALDH1A1 (0.48) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4380528 0.76 ALDH1A1 (0.48) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2829282 0.76 AR (0.44) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4376233 0.74 TSHR (0.51) ALDH1A1SMN1; SMN2LMNAMAPTALOX15

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 AR 2418/4885ALDH1A1 1907/4885SMN1; SMN2 2684/4885

“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.