SCHEMBL4380924

SCHEMBL4380924

O=C(CCCc1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.67
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 2/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
TACR1 P25103 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
GRM5 P41594 1/20 0.49

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 SCHEMBL4385760 0.99 HRH3 (0.68) HRH3ALDH1A1TSHRKMT2AKDM4E
SCHEMBL13636248 0.89 HRH3 (0.68) HRH3ALDH1A1TSHRKMT2AL3MBTL3
Hydrochloric Acid SCHEMBL4378991 0.88 HRH3 (0.70) HRH3ALDH1A1TSHRKMT2AL3MBTL3
SCHEMBL4378477 0.84 ALDH1A1 (0.84) ALDH1A1TSHRKMT2AKDM4E
Hydrochloric Acid SCHEMBL4379167 0.83 ALDH1A1 (0.83) HRH3ALDH1A1TSHRKMT2AKDM4E
SCHEMBL4379159 0.83 ALDH1A1 (0.87) ALDH1A1TSHRKMT2AKDM4E
SCHEMBL4386760 0.81 HRH3 (1.00) HRH3ALDH1A1KDM4E
SCHEMBL4379142 0.80 HRH3 (0.97) HRH3ALDH1A1TSHRKMT2ATACR1
SCHEMBL4377249 0.80 HRH3 (0.97) HRH3ALDH1A1TSHRKMT2ATACR1
Hydrochloric Acid SCHEMBL4375554 0.80 HRH3 (1.00) HRH3ALDH1A1KDM4ETACR1

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 7 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-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 HRH3 1/4885ALDH1A1 1907/4885TSHR 621/4885

“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.