SCHEMBL2823135

SCHEMBL2823135

CC1(/C(=N\C#N)NC2C3CC4CC2CC(C(N)=O)(C4)C3)CCN(Cc2cccnc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
HSD11B2 P80365 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL2823139 1.00 HSD11B1 (0.40) HSD11B1CYP17A1CYP19A1HSD11B2POLB
SCHEMBL2827356 0.91 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL2827351 0.91 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL2827535 0.91 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2827532 0.91 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL3192379 0.88 HSD11B1 (0.45) HSD11B1CYP17A1CYP19A1HSD11B2POLB
SCHEMBL2827016 0.87 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2827015 0.87 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2824245 0.86 HSD11B1 (0.43) HSD11B1HSD11B2
SCHEMBL2824249 0.86 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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 HSD11B1 2/4885CYP17A1 30/4885CYP19A1 87/4885

“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.