SCHEMBL933006

SCHEMBL933006

O=C(c1cc2ccccc2s1)N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
DPP4 P27487 2/20 0.54
DPP8 Q6V1X1 1/20 0.54
BCL2L1 Q07817 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 1/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL24416092 0.85 HRH4 (0.74) HRH4L3MBTL1CA12CA1CA2
SCHEMBL30250290 0.82 GPR6 (0.57) HRH4L3MBTL1BCL2L1HDAC6HDAC3
SCHEMBL18071180 0.82 HRH4 (1.00) HRH4L3MBTL1CA12CA1CA2
Hydrochloric Acid SCHEMBL29268510 0.81 GPR6 (0.56) HRH4L3MBTL1BCL2L1HDAC6HDAC3
Ethylene SCHEMBL8547383 0.81 HRH4 (0.68) HRH4L3MBTL1CA12CA1CA2
SCHEMBL12353720 0.79 ALDH1A1 (0.78) HRH4L3MBTL1ALDH1A1POLB
SCHEMBL7536818 0.79 HRH4 (0.69) HRH4L3MBTL1CA12CA1CA2
SCHEMBL16599230 0.78 HRH4 (0.67) HRH4L3MBTL1CA12CA1CA2
SCHEMBL4814960 0.77 HRH4 (0.67) HRH4L3MBTL1CA12CA1CA2
SCHEMBL4814970 0.77 HRH4 (0.67) HRH4L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296212-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2014-10-02 US disclosed
US-20140296212-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2014-10-02 US disclosed
US-8648067-B2 Substituted phenoxypropylcycloamine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC. (US) 2014-02-11 US disclosed
US-8648067-B2 Substituted phenoxypropylcycloamine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC. (US) 2014-02-11 US disclosed
US-20120238551-A1 Substituted Phenoxypropylcycloamine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON FRANCE (FR) 2012-09-20 US disclosed
US-20120238551-A1 Substituted Phenoxypropylcycloamine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON FRANCE (FR) 2012-09-20 US disclosed
EP-2459529-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2012-06-06 EP disclosed
WO-2011002984-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2011-01-06 WO disclosed
WO-2011002984-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2011-01-06 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 (2 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-20140296212-A1 SUBSTITUTED PHENOXYPROPYLCYCLOAMINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS HRH3, HRH4, HRH2 HRH4 2/4885L3MBTL1 4844/4885CA12 3670/4885
US-20120238551-A1 Substituted Phenoxypropylcycloamine Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 HRH4 2/4885L3MBTL1 4844/4885CA12 3670/4885

“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.