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SCHEMBL6329015

SCHEMBL6329015

Cc1cc(C(N)=O)ccc1OCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL25199161 0.77 TOP2A (0.51) THRATHRBLMNAMAPK1KCNH2
SCHEMBL4684232 0.77 MAPK1 (0.49) KDM4ETHRATHRBLMNAMAPK1
SCHEMBL4687532 0.76 MAPK1 (0.48) KDM4ETHRATHRBMAPK1KCNH2
SCHEMBL1785567 0.74 SUCNR1 (0.47) MCHR1
SCHEMBL1929620 0.73 KDM4E (0.48) KDM4EMCHR1GAA
SCHEMBL25211177 0.73 MAPK1 (0.51) THRATHRBLMNAMAPK1KCNH2
SCHEMBL27195819 0.72 THRA (0.62) KDM4ETHRATHRBMAPK1OPRK1
SCHEMBL17102720 0.71 ALDH1A1 (0.36) KDM4ELMNAMAPK1KCNH2OPRK1
SCHEMBL17664161 0.70 ESR1 (0.53) KDM4ETHRATHRBLMNAMAPK1
SCHEMBL9623925 0.70 POLB (0.55) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 — — US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 — — US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 — — US disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 — — US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 — — 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 (3 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 KDM4E 3213/4885THRA 86/4885THRB 68/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 KDM4E 3070/4885THRA 71/4885THRB 45/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 KDM4E 3754/4885THRA 109/4885THRB 144/4885

“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.