SCHEMBL17758913

SCHEMBL17758913

CCCCOc1ccc(C(=O)OCCN2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ THRB P10828 5/20 0.70
▸ ALDH1A1 P00352 5/20 0.70
▸ LMNA P02545 2/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CHRM2 P08172 1/20 0.70
▸ CHRM4 P08173 1/20 0.70
▸ CHRM5 P08912 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ ADRA2C P18825 1/20 0.70
▸ DRD4 P21917 1/20 0.70
▸ ACHE P22303 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ HRH2 P25021 1/20 0.70
▸ HTR2A P28223 1/20 0.70
▸ ADRA1A P35348 1/20 0.70
▸ HRH1 P35367 1/20 0.70

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
SCHEMBL223800 0.88 KCNH2 (0.81) HRH3KMT2AKCNH2THRBALDH1A1
SCHEMBL228881 0.88 KCNH2 (0.81) HRH3KMT2AKCNH2THRBALDH1A1
Hydrochloric Acid SCHEMBL8404070 0.87 KCNH2 (0.80) HRH3KMT2AKCNH2THRBALDH1A1
SCHEMBL4224568 0.87 HRH3 (0.93) HRH3KMT2AKCNH2THRBALDH1A1
SCHEMBL21408538 0.86 HRH3 (0.79) HRH3KMT2AKCNH2THRBALDH1A1
SCHEMBL17754529 0.86 KMT2A (0.65) HRH3KMT2AKCNH2THRBALDH1A1
SCHEMBL501910 0.85 KMT2A (0.72) HRH3KMT2AKCNH2ALDH1A1LMNA
SCHEMBL4096430 0.84 HRH3 (1.00) HRH3KCNH2THRBALDH1A1LMNA
SCHEMBL502023 0.83 KMT2A (0.69) HRH3KMT2AKCNH2ALDH1A1LMNA
Dyclonine SCHEMBL25773 0.83 THRB (1.00) HRH3KMT2AKCNH2THRBALDH1A1

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-9662318-B2 Bitopic muscarinic agonists and antagonists and methods of synthesis and use thereof BARRY UNIVERSITY, INC. (US) 2017-05-30 — — US disclosed
US-20160136145-A1 BITOPIC MUSCARINIC AGONISTS AND ANTAGONISTS AND METHODS OF SYNTHESIS AND USE THEREOF BARRY UNIVERSITY, INC. 2016-05-19 — — 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-20160136145-A1 BITOPIC MUSCARINIC AGONISTS AND ANTAGONISTS AND METHODS OF SYNTHESIS AND USE THEREOF CHRM5, CHRM2, CHRM3 HRH3 104/4885KMT2A 288/4885KCNH2 62/4885

“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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