SCHEMBL3068872

SCHEMBL3068872

CCS(=O)(=O)c1ccc(-c2ccc(C3CCN(C4CCC4)CC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 13/20 0.42
GABRA2 P47869 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
IDO1 P14902 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
APLNR P35414 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL3060987 0.85 KDM2B (0.43) KDM2BHRH3
SCHEMBL3063437 0.82 PTGS1 (0.39) GABRA2HRH3IDO1PTGS1PTGS2
SCHEMBL3056558 0.82 KDM2B (0.41) KDM2BGABRA2TP53
Hydrochloric Acid SCHEMBL27808141 0.81 KDM2B (0.40) KDM2BGABRA2TP53
SCHEMBL3056229 0.80 KDM2B (0.41) KDM2BGABRA2TP53
SCHEMBL3072064 0.79 SYK (0.44) IDO1PTGS1PTGS2APLNR
Hydrochloric Acid SCHEMBL27786263 0.79 KDM2B (0.40) KDM2BGABRA2TP53
SCHEMBL13088487 0.78 HRH3 (0.44) HRH3IDO1
SCHEMBL3056217 0.78 OPRD1 (0.49) HRH3IDO1
SCHEMBL3061192 0.78 HRH3 (0.42) HRH3IDO1

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
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US claimed
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
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

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 KDM2B 1958/4885GABRA2 246/4885HRH3 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.