SCHEMBL2023699

SCHEMBL2023699

COC(=O)N1CCC(N2CCC(Cc3c(Cl)cc(-c4ccc(C(=O)N5CCC(C(F)(F)F)CC5)cc4)cc3Cl)C2=NC#N)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PGR P06401 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
MET P08581 2/20 0.33
MGLL Q99685 2/20 0.33
LRRK2 Q5S007 2/20 0.32
P2RX7 Q99572 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HSD11B1 P28845 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.32
TACR3 P29371 1/20 0.32
SPR P35270 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
SCHEMBL2023698 1.00 NAMPT (0.33) NAMPTACACBACACAPGRCYP2D6
SCHEMBL2020340 0.88 HSD11B1 (0.33) NAMPTMETMGLLHSD11B1SPR
SCHEMBL2020341 0.88 HSD11B1 (0.33) NAMPTMETMGLLHSD11B1SPR
SCHEMBL381543 0.87 NAMPT (0.36) NAMPTACACBACACAMETMGLL
SCHEMBL381542 0.87 NAMPT (0.36) NAMPTACACBACACAMETMGLL
SCHEMBL2022110 0.81 HTR2B (0.34) NAMPTSPR
SCHEMBL2022111 0.81 HTR2B (0.34) NAMPTSPR
SCHEMBL2025484 0.81 L3MBTL1 (0.35) NAMPTMETMGLLLRRK2HSD11B1
SCHEMBL2025483 0.81 L3MBTL1 (0.35) NAMPTMETMGLLLRRK2HSD11B1
SCHEMBL2021683 0.81 HTR2B (0.34) NAMPTMGLLHRH3HSD11B1SPR

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
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-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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 (2 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 NAMPT 1296/4885ACACB 55/4885ACACA 44/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 NAMPT 861/4885ACACB 760/4885ACACA 384/4885

“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.