SCHEMBL4315124

SCHEMBL4315124

O=C1c2ccc(-c3ccccc3)cc2CCN1[C@@H]1CCN(C2CCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
GRM5 P41594 3/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
OPRD1 P41143 1/20 0.39
KDM5A P29375 1/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL4307338 0.90 HRH3 (0.56) HRH3KCNH2
SCHEMBL3660308 0.89 HRH3 (0.53) HRH3KCNH2
SCHEMBL3660302 0.89 HRH3 (0.53) HRH3KCNH2
Hydrochloric Acid SCHEMBL4309598 0.85 HRH3 (0.52) HRH3KCNH2
Hydrochloric Acid SCHEMBL4309596 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL4307211 0.85 HRH3 (0.55) HRH3GRM5PARP10PARP11
SCHEMBL4320715 0.84 HRH3 (0.52) HRH3KCNH2
SCHEMBL4320722 0.84 HRH3 (0.52) HRH3KCNH2
SCHEMBL4320884 0.84 HRH3 (0.55) HRH3KCNH2
SCHEMBL4311914 0.84 HRH3 (0.49) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US claimed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US 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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 HRH3 4/4885GRM5 41/4885PARP10 2695/4885

“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.