SCHEMBL4375794

SCHEMBL4375794

O=C(CCSc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
HPGD P15428 4/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
HRH3 Q9Y5N1 8/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
TSHR P16473 1/20 0.59
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.52

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 SCHEMBL4378904 0.99 NPC1 (0.68) NPC1RAB9AHPGDCYP1A2CYP3A4
SCHEMBL3457093 0.83 RAB9A (1.00) NPC1RAB9AHPGDCYP1A2CYP3A4
SCHEMBL4386760 0.80 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4380924 0.79 HRH3 (0.67) HRH3KMT2ATSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL4375554 0.79 HRH3 (1.00) HRH3ALDH1A1
SCHEMBL4377249 0.79 HRH3 (0.97) HRH3KMT2ATSHRALDH1A1
SCHEMBL4379142 0.79 HRH3 (0.97) HRH3KMT2ATSHRALDH1A1
SCHEMBL4382907 0.79 HRH3 (0.97) HRH3KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL4375750 0.78 HRH3 (1.00) HRH3KMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL4382285 0.78 HRH3 (1.00) HRH3KMT2ATSHRALDH1A1

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 8 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
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

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 3209/4885HPGD 646/4885

“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.