SCHEMBL2822220

SCHEMBL2822220

CC(C)(Oc1ccc(Cl)cc1F)/C(=N/C#N)NC1CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
HSD11B2 P80365 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
OPRL1 P41146 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
USP30 Q70CQ3 1/20 0.36
GPR6 P46095 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL2822221 1.00 HSD11B1 (0.44) HSD11B1HSD11B2KMT2AMEN1TDP1
SCHEMBL2824476 0.89 NPC1 (0.40) HSD11B1KMT2ASMN1; SMN2HPGDOPRL1
SCHEMBL2824480 0.89 NPC1 (0.40) HSD11B1KMT2ASMN1; SMN2HPGDOPRL1
SCHEMBL2823676 0.82 HSD11B1 (0.52) HSD11B1HSD11B2USP30
SCHEMBL2823671 0.82 HSD11B1 (0.52) HSD11B1HSD11B2USP30
SCHEMBL2822159 0.82 HSD11B1 (0.60) HSD11B1HSD11B2KMT2AMEN1L3MBTL1
SCHEMBL2822162 0.82 HSD11B1 (0.60) HSD11B1HSD11B2KMT2AMEN1L3MBTL1
SCHEMBL2823410 0.81 HSD11B1 (0.47) HSD11B1HSD11B2KMT2ATDP1RAB9A
SCHEMBL2824618 0.81 HSD11B1 (0.47) HSD11B1HSD11B2KMT2ATDP1RAB9A
SCHEMBL2827916 0.81 HSD11B1 (0.40) HSD11B1HSD11B2KMT2AMEN1USP30

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 HSD11B1 2/4885HSD11B2 1/4885KMT2A 2829/4885

“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.