SCHEMBL4899162

SCHEMBL4899162

CCOC(=O)C(C)(C)Oc1ccc(-c2cn(CCC(C)(C)N)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FBP1 P09467 7/20 0.41
CNR1 P21554 1/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL4617485 0.84 PPARA (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2199232 0.78 MAPT (0.48) RAB9ASMN1; SMN2
SCHEMBL5353450 0.73 PDE10A (0.44) CYP3A4RAB9A
SCHEMBL4701840 0.72 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12986519 0.72 RAB9A (0.41) CYP3A4RAB9ASMN1; SMN2
SCHEMBL23582372 0.71 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4890520 0.70 FABP4 (0.44)
SCHEMBL3485018 0.70 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31357593 0.70 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL23582156 0.70 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments ADRB1, ADRB3, ADRB2 PPARA 47/4885ABCB11 933/4885CYP1A2 261/4885

“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.