SCHEMBL3051677

SCHEMBL3051677

CCS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
HRH3 Q9Y5N1 4/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALK Q9UM73 1/20 0.35
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34
DDR1 Q08345 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
MAPT P10636 1/20 0.34
MET P08581 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC2A2 P11168 1/20 0.33

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 SCHEMBL27786254 0.99 PARP1 (0.39) PARP1PARP2HRH3LMNAGAA
SCHEMBL3061612 0.86 PARP1 (0.38) PARP1PARP2HRH3LMNAGAA
SCHEMBL3056252 0.82 HRH3 (0.47) HRH3LMNAGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27786221 0.81 HRH3 (0.47) HRH3LMNAGAAKDM4EALDH1A1
SCHEMBL3151043 0.81 LMNA (0.49) HRH3LMNAMAPT
SCHEMBL3051776 0.81 HRH3 (0.48) PARP1PARP2HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27786213 0.80 HRH3 (0.47) PARP1PARP2HRH3KDM4EALDH1A1
SCHEMBL3057136 0.78 HRH3 (0.38) HRH3LMNAGAAMAPTMET
SCHEMBL3062510 0.77 HRH3 (0.45) PARP1PARP2HRH3
Hydrochloric Acid SCHEMBL27808138 0.77 HRH3 (0.37) HRH3LMNAGAAMAPTMET

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US claimed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
CN-101795567-A New heteocyclic H3 antagonists HIGH POINT PHARMACEUTICALS LLC 2010-08-04 CN disclosed
EP-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 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 (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-20100267721-A1 Heterocyclic H3 Antagonists HRH3, HRH4, HRH2 PARP1 1812/4885PARP2 2378/4885HRH3 1/4885

“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.