SCHEMBL12030751

SCHEMBL12030751

CC(C)C(=O)N1CC=C(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.43
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
CCR1 P32246 1/20 0.34
SLC6A15 Q9H2J7 1/20 0.33
RIPK1 Q13546 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAP4K4 O95819 1/20 0.32
MET P08581 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
SCHEMBL104852 0.84 QDPR (0.45) NAMPTKCNH2HRH3
SCHEMBL15906962 0.83 HPGD (0.36) NAMPTKCNH2HRH3CCR1
SCHEMBL22529086 0.81 NAMPT (0.36) NAMPTPKMCHRNB2CHRNA3CHRNA4
SCHEMBL17660297 0.81 MAPT (0.39) KCNH2HRH3PKMMET
SCHEMBL13925377 0.80 NAMPT (0.47) NAMPTKCNH2HRH3CHRNB2CHRNA3
SCHEMBL2603265 0.79 MEN1 (0.37) NAMPTKCNH2HRH3NPC1RAB9A
SCHEMBL21665288 0.79 MEN1 (0.34) KCNH2HRH3
SCHEMBL15837090 0.79 CYP2C9 (0.36) KCNH2HRH3MET
SCHEMBL12205461 0.79 HRH3 (0.46) KCNH2HRH3
SCHEMBL18269035 0.79 POLB (0.44) NPC1RAB9A

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
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 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 (3 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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 NAMPT 4625/4885KCNH2 2983/4885HRH3 2937/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A NAMPT 212/4885KCNH2 3476/4885HRH3 3292/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 NAMPT 1970/4885KCNH2 3402/4885HRH3 1026/4885

“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.