SCHEMBL12205461

SCHEMBL12205461

CC(C)C1=CCN(C(=O)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 7/20 0.41
LIPE Q05469 4/20 0.38
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX4 Q99571 1/20 0.35
BCHE P06276 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
SCHEMBL21100748 0.86 MAPT (0.45) HRH3KCNH2ALDH1A1LIPEKMT2A
SCHEMBL104852 0.81 QDPR (0.45) HRH3KCNH2KMT2AMAPTLMNA
SCHEMBL12030751 0.79 NAMPT (0.43) HRH3KCNH2
SCHEMBL16000788 0.79 SMN1; SMN2 (0.44) HRH3ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL17660297 0.78 MAPT (0.39) HRH3KCNH2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2603265 0.77 MEN1 (0.37) HRH3KCNH2ALDH1A1KMT2AMEN1
SCHEMBL21665288 0.77 MEN1 (0.34) HRH3KCNH2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18269035 0.77 POLB (0.44) ALDH1A1SMN1; SMN2POLB
SCHEMBL15837090 0.77 CYP2C9 (0.36) HRH3KCNH2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23972325 0.76 ALDH1A1 (0.48) HRH3KCNH2ALDH1A1LIPEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 HRH3 2937/4885KCNH2 2983/4885ALDH1A1 3409/4885

“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.