SCHEMBL5212927

SCHEMBL5212927

CC(C)N1CCC(OC2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.64
VCP P55072 2/20 0.46
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
PANK3 Q9H999 1/20 0.42

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 SCHEMBL5211632 0.99 HRH3 (0.63) HRH3VCPKDM4ETP53CHRNA10
SCHEMBL6132583 0.82 HRH3 (0.50) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL23384006 0.82 KDM4E (0.61) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL5212466 0.81 HRH3 (0.48) HRH3
SCHEMBL5212226 0.81 HRH3 (0.54) HRH3PANK3
Hydrochloric Acid SCHEMBL5208875 0.80 KDM4E (0.47) HRH3KDM4ETP53CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL5211669 0.80 HRH3 (0.47) HRH3
Hydrochloric Acid SCHEMBL5214485 0.80 HRH3 (0.53) HRH3PANK3
SCHEMBL20346944 0.79 KDM4E (0.53) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL4233978 0.78 HRH3 (1.00) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US claimed
EP-2804853-A1 THERAPEUTIC USES GlaxoSmithKline Intellectual Property Development Limited (GB) 2014-11-26 EP claimed
WO-2013107336-A1 THERAPEUTIC USES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-07-25 WO claimed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US disclosed
US-20150080380-A1 Therapeutic Uses GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-03-19 US disclosed
EP-2804853-A1 THERAPEUTIC USES GlaxoSmithKline Intellectual Property Development Limited (GB) 2014-11-26 EP disclosed
WO-2013107336-A1 THERAPEUTIC USES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-07-25 WO disclosed
WO-2013107336-A1 THERAPEUTIC USES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-07-25 WO disclosed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP 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-20150080380-A1 Therapeutic Uses HRH3, HRH4, HRH2 HRH3 1/4885VCP 3764/4885KDM4E 847/4885

“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.