SCHEMBL4385902

SCHEMBL4385902

CCC(CC)N1CCN(C(=O)OCCc2ccc(OC)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 10/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
Hydrochloric Acid SCHEMBL4385899 0.99 HRH3 (0.50) MEN1KMT2AADORA3HTR2AHTR7
SCHEMBL4378547 0.85 HRH3 (0.55) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4378542 0.84 HRH3 (0.56) MEN1KMT2AHRH3ALDH1A1MAPT
SCHEMBL4389506 0.82 HRH3 (0.51) HRH3ALDH1A1
SCHEMBL25035712 0.80 ALDH1A1 (0.56) MEN1KMT2AADORA3HTR2AHTR7
SCHEMBL25035713 0.80 SMN1; SMN2 (0.51) MEN1KMT2AADORA3HTR2AHTR7
SCHEMBL4386252 0.79 HRH3 (0.54) MEN1KMT2AHRH3HRH2HRH1
Hydrochloric Acid SCHEMBL4386246 0.78 HRH3 (0.55) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL4378509 0.78 HRH3 (0.71) MEN1KMT2AHRH3SMN1; SMN2HRH2
Hydrochloric Acid SCHEMBL4378506 0.77 HRH3 (0.73) MEN1KMT2AHRH3SMN1; SMN2HRH2

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 11 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 disclosed
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-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US 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
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 (2 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 MEN1 2570/4885KMT2A 295/4885ADORA3 303/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 MEN1 2570/4885KMT2A 295/4885ADORA3 303/4885

“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.