SCHEMBL2826092

SCHEMBL2826092

CC(C)(Oc1ccc(Cl)cc1)C(=NC12CCC(O)(CC1)CC2)NC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 5/20 0.39
HSD11B2 P80365 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 2/20 0.38
PPARG P37231 3/20 0.36
TSHR P16473 2/20 0.36
FABP2 P12104 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
ABCB11 O95342 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL2827329 0.89 PPARA (0.39) PPARACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2823533 0.88 P2RX7 (0.33) KMT2AHSD11B1HSD11B2PPARG
SCHEMBL2828382 0.86 HSD11B1 (0.37) PPARACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2823633 0.82 P2RX7 (0.44) HSD11B1HSD11B2
SCHEMBL2828211 0.81 P2RX7 (0.32) KMT2AHSD11B1HSD11B2
SCHEMBL2826086 0.78 HSD11B1 (0.48) PPARACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2826088 0.78 HSD11B1 (0.48) PPARACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2827110 0.77 PPARG (0.34) PPARAKMT2AHSD11B1HSD11B2PPARG
SCHEMBL2826778 0.74 ABCC9 (0.32) KMT2A
SCHEMBL2824588 0.74 HSD11B1 (0.43) HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 PPARA 650/4885CYP1A2 234/4885CYP3A4 857/4885

“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.