SCHEMBL9911458

SCHEMBL9911458

CC(C)NC(=O)C1CCCN1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACE P12821 4/20 0.36
REN P00797 2/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12304484 1.00 CYP3A4 (0.50) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL12733449 1.00 CYP3A4 (0.50) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL14593914 0.94 CYP3A4 (0.45) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL26287094 0.94 CYP3A4 (0.45) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL20611398 0.93 CYP3A4 (0.44) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL26503089 0.90 SMN1; SMN2 (0.46) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL12733399 0.87 CYP3A4 (0.47) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL12733400 0.87 CYP3A4 (0.47) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL2604731 0.87 CYP3A4 (0.47) CYP3A4CYP2D6TSHRMEN1KMT2A
SCHEMBL2604730 0.84 CYP3A4 (0.44) CYP3A4CYP2D6TSHRMEN1KMT2A

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-20230012600-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVES AND USES THEREOF BROADENBIO CO., LTD. (CN) 2023-01-19 US disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP3A4 3498/4885CYP2D6 3082/4885TSHR 677/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP3A4 2700/4885CYP2D6 2085/4885TSHR 744/4885
US-20230012600-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVES AND USES THEREOF FGFR4, FGFR1, FGFR3 CYP3A4 15/4885CYP2D6 95/4885TSHR 3368/4885

“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.