SCHEMBL2348744

SCHEMBL2348744

Oc1ccc2c(c1)CCC1(CCNCC1)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 3/20 0.41
DRD1 P21728 2/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DRD4 P21917 2/20 0.39
OPRM1 P35372 2/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2C P28335 1/20 0.36
OPRD1 P41143 2/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL4475359 0.85 AKT1 (0.49) AKT1HRH3ESR1ESR2ENTPD5
SCHEMBL4220742 0.84 HTR2C (0.49) HRH3DRD2HTR2COPRD1HTR2A
Hydrochloric Acid SCHEMBL4221293 0.83 HTR2C (0.48) HRH3DRD2HTR2COPRD1HTR2A
SCHEMBL1690952 0.81 HTR2A (0.50) HRH3DRD2HTR2COPRD1KCNH2
SCHEMBL5321592 0.81 HTR2C (0.46) HRH3DRD2HTR2COPRD1HDAC3
SCHEMBL8669756 0.81 HRH3 (0.43) HRH3DRD2OPRM1HTR2COPRD1
SCHEMBL13005003 0.79 AKT1 (0.48) AKT1HRH3DRD2DRD1DRD4
SCHEMBL18165461 0.78 RXRA (0.43) HRH3DRD2HTR2COPRD1KCNH2
SCHEMBL7787622 0.78 AKT1 (0.51) AKT1DRD2ESR1ESR2DRD4
SCHEMBL25823989 0.77 HRH3 (0.40) HRH3DRD2OPRD1HDAC3HDAC4

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-20130310389-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2013-11-21 US disclosed
US-20130310389-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2013-11-21 US disclosed
US-8524713-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC (US) 2013-09-03 US disclosed
US-8524713-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC (US) 2013-09-03 US disclosed
US-8524713-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC (US) 2013-09-03 US disclosed
EP-2257553-B1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON INC (US) 2011-08-31 EP disclosed
EP-2257553-B1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON INC (US) 2011-08-31 EP disclosed
EP-2257553-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2010-12-08 EP disclosed
US-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2010-11-25 US disclosed
US-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2010-11-25 US disclosed
US-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2010-11-25 US disclosed
WO-2009097309-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-08-06 WO disclosed
WO-2009097309-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-08-06 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-20100298332-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 AKT1 2169/4885HRH3 1/4885DRD2 429/4885
US-20130310389-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS HRH3, HRH4, HRH2 AKT1 1127/4885HRH3 1/4885DRD2 33/4885

“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.