SCHEMBL15416236

SCHEMBL15416236

COC(=O)C1CC12CN(C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.52
CYP2D6 P10635 10/20 0.52
CYP2C9 P11712 7/20 0.52
CYP2C19 P33261 5/20 0.52
HIF1A Q16665 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 7/20 0.45
CYP1A2 P05177 4/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
OPRD1 P41143 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14892487 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL14892488 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL23599180 0.77 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL72964 0.75 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL1602301 0.74 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL22118560 0.73 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6206565 0.70 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL15577377 0.69 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL14893094 0.69 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL23599184 0.69 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2023-05-04 US disclosed
WO-2021129737-A1 COMPOUND HAVING KHK INHIBITORY EFFECT 南京明德新药研发有限公司 2021-07-01 WO disclosed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A CYP3A4 1261/4885CYP2D6 1028/4885CYP2C9 2046/4885
US-20230138901-A1 COMPOUND HAVING KHK INHIBITORY EFFECT KHK, KHDRBS1, KHSRP CYP3A4 4641/4885CYP2D6 4228/4885CYP2C9 4680/4885

“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.