SCHEMBL1104455

SCHEMBL1104455

CC1(F)CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SPR P35270 1/20 0.35
AOC2 O75106 2/20 0.34
RIPK1 Q13546 1/20 0.34
OPRD1 P41143 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
PDK2 Q15119 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15490628 0.88 SPR (0.42) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL1104454 0.85 CYP3A4 (0.40) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL13328857 0.83 CYP3A4 (0.41) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL13223563 0.81 CYP3A4 (0.43) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL16886332 0.80 EPHX2 (0.40) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL18701914 0.80 CYP3A4 (0.38) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL16886333 0.79 CHRM2 (0.41) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL18702143 0.79 RIPK1 (0.38) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL18701844 0.79 EPHX2 (0.42) CYP3A4EPHX2ALDH1A1HTTMEN1
SCHEMBL18701880 0.78 EPHX2 (0.43) CYP3A4EPHX2ALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 US disclosed
US-8153807-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-7994176-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7968585-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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 (7 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-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 CYP3A4 4813/4885EPHX2 1470/4885ALDH1A1 33/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 CYP3A4 4647/4885EPHX2 4146/4885ALDH1A1 3253/4885
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 CYP3A4 311/4885EPHX2 873/4885ALDH1A1 71/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 CYP3A4 695/4885EPHX2 1686/4885ALDH1A1 1706/4885
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 CYP3A4 332/4885EPHX2 2537/4885ALDH1A1 141/4885
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 255/4885EPHX2 835/4885ALDH1A1 75/4885
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 249/4885EPHX2 951/4885ALDH1A1 78/4885

“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.