Sugi Predict

Sugi Predict / Compounds / SCHEMBL19635549

SCHEMBL19635549

SCHEMBL19635549

COCCOC(=O)c1cc(C2CC2)n(CCOC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.47
▸ CNR2 P34972 3/20 0.47
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PLAT P00750 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ PSMB8 P28062 1/20 0.33

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
SCHEMBL29291181 0.81 CNR1 (0.43) CNR1CNR2ALDH1A1PLATKDM4E
SCHEMBL29291182 0.77 CNR1 (0.43) CNR1CNR2ALDH1A1PLATKDM4E
SCHEMBL19615268 0.77 NTRK1 (0.38) CNR1CNR2TSHRALDH1A1TP53
SCHEMBL19634927 0.76 FAAH (0.48) CNR1CNR2PLATKDM4EPOLB
SCHEMBL25427554 0.74 CNR1 (0.39) CNR1CNR2TSHRALDH1A1TP53
SCHEMBL22649247 0.71 FAAH (0.47) PLATGAAMAPTKMT2APSMB8
SCHEMBL19616009 0.71 CNR1 (0.42) CNR1CNR2TSHRALDH1A1TP53
SCHEMBL19615411 0.71 ALDH1A1 (0.33) TSHRALDH1A1TP53KDM4EHPGD
SCHEMBL19615765 0.71 ALDH1A1 (0.33) TSHRALDH1A1TP53KDM4EHPGD
SCHEMBL21964575 0.69 ALDH1A1 (0.43) CNR1CNR2TSHRALDH1A1KDM4E

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-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
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — 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 (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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 CNR1 163/4885CNR2 256/4885TSHR 359/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 CNR1 157/4885CNR2 226/4885TSHR 420/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 CNR1 183/4885CNR2 278/4885TSHR 374/4885

“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.