SCHEMBL2827101

SCHEMBL2827101

CC(C)(/C(=N\C#N)NC1C2CC3CC1CC(C(=O)NCc1ccco1)(C3)C2)N1CCCC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.40
HSD11B1 P28845 8/20 0.38
HSD11B2 P80365 4/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL2827106 1.00 POLB (0.47) POLBKMT2ATSHRALDH1A1NPC1
SCHEMBL234980 0.89 POLB (0.52) POLBKMT2ATSHRALDH1A1NPC1
SCHEMBL2840833 0.87 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL2830528 0.86 HSD11B1 (0.50) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL2830530 0.86 HSD11B1 (0.50) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL2828131 0.86 HSD11B1 (0.50) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL2828134 0.86 HSD11B1 (0.50) KMT2AALDH1A1HSD11B1HSD11B2EPHX2
SCHEMBL2824758 0.85 HSD11B1 (0.37) KMT2AALDH1A1HSD11B1HSD11B2
SCHEMBL2824757 0.85 HSD11B1 (0.37) KMT2AALDH1A1HSD11B1HSD11B2
SCHEMBL2826687 0.85 HSD11B1 (0.51) ALDH1A1HSD11B1HSD11B2

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 POLB 3614/4885KMT2A 2829/4885TSHR 1055/4885

“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.