SCHEMBL14825905

SCHEMBL14825905

O=COc1n[nH]cc1CN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.46
▸ BCHE P06276 9/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ DRD1 P21728 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ GRM7 Q14831 1/20 0.42
▸ GRM3 Q14832 1/20 0.42
▸ PARP14 Q460N5 2/20 0.40

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
SCHEMBL12064939 0.81 BCHE (0.48) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL14825906 0.79 CHRM2 (0.50) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL12065122 0.76 BCHE (0.48) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL12064940 0.75 CHRM2 (0.45) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL14307093 0.73 CHRM2 (0.60) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL30426084 0.71 BCHE (0.64) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL12064655 0.70 SLC6A2 (0.49) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL14813841 0.70 BCHE (0.48) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL9160576 0.70 DRD3 (0.46) HPGDSBCHECHRM2HTR1AADRA2A
SCHEMBL12064656 0.69 CHRM2 (0.48) HPGDSBCHECHRM2HTR1AADRA2A

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-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 — — US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 — — 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-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 HPGDS 884/4885BCHE 2942/4885CHRM2 98/4885

“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.

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