SCHEMBL5485146

SCHEMBL5485146

CC(C)(C)C(=O)OC1CCC(=O)c2ccc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 7/20 0.35
PTGDR Q13258 4/20 0.35
HTR2B P41595 2/20 0.34
PTGER2 P43116 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.33
ELANE P08246 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
TP53 P04637 1/20 0.32
WDR5 P61964 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 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
SCHEMBL19635311 0.86 PTGDR2 (0.34) KMT2APTGDR2MAPT
SCHEMBL5482888 0.85 KMT2A (0.36) KMT2APTGDR2MAPTCYP11B1CYP11B2
SCHEMBL5478575 0.84 HTT (0.42) MEN1PKMKMT2APTGDR2PTGDR
SCHEMBL5478573 0.84 HTT (0.42) MEN1PKMKMT2APTGDR2PTGDR
SCHEMBL5480832 0.84 LMNA (0.48) PTGDR2
SCHEMBL19635324 0.82 PTGDR2 (0.38) PTGDR2HTR2BCYP11B1CYP11B2HTR2C
SCHEMBL29602500 0.81 ALDH1A1 (0.39) KMT2AOPRK1ELANEMAPTHTR2C
SCHEMBL24378027 0.79 PTGDR2 (0.34) PTGDR2PTGDRHTR2BPTGER2SLC6A3
SCHEMBL15698064 0.79 HTR2B (0.33) MEN1PKMKMT2AHTR2BSLC6A3
SCHEMBL12822679 0.79 HTR2B (0.33) MEN1PKMKMT2AHTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 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 (4 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 MEN1 142/4885PKM 2518/4885KMT2A 930/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MEN1 114/4885PKM 2132/4885KMT2A 772/4885
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof CYP2F1, MAOB, CYP1A2 MEN1 1864/4885PKM 1184/4885KMT2A 788/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MEN1 140/4885PKM 2401/4885KMT2A 897/4885

“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.