SCHEMBL2827326

SCHEMBL2827326

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.47
HSD11B2 P80365 7/20 0.47
PPARA Q07869 7/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCB11 O95342 2/20 0.37
TSHR P16473 2/20 0.37
HTR2A P28223 2/20 0.37
PMP22 Q01453 2/20 0.37
ATF4 P18848 1/20 0.36
PPARG P37231 3/20 0.34
FABP2 P12104 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PPARD Q03181 2/20 0.34
CYP2C9 P11712 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
SCHEMBL2827328 1.00 HSD11B1 (0.47) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2826086 0.90 HSD11B1 (0.48) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2826088 0.90 HSD11B1 (0.48) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2827108 0.88 HSD11B1 (0.34) HSD11B1HSD11B2PPARAPPARGPPARD
SCHEMBL2827103 0.88 HSD11B1 (0.34) HSD11B1HSD11B2PPARAPPARGPPARD
SCHEMBL2828380 0.86 HSD11B1 (0.45) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2823263 0.86 HSD11B1 (0.55) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2828377 0.86 HSD11B1 (0.45) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2823261 0.86 HSD11B1 (0.55) HSD11B1HSD11B2PPARACYP1A2CYP3A4
SCHEMBL2824280 0.85 HSD11B1 (0.69) HSD11B1HSD11B2PPARACYP1A2CYP3A4

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-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
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 HSD11B1 2/4885HSD11B2 1/4885PPARA 650/4885

“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.