SCHEMBL19618980

SCHEMBL19618980

CCOC(=O)c1nn(CC)c(C2CC2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
ELANE P08246 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL29291178 0.82 NPC1 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1GAA
SCHEMBL19615765 0.76 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2POLBGAA
SCHEMBL24235220 0.73 POLB (0.38) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL18853866 0.73 ELANE (0.38) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL1740722 0.72 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1PDE4A
SCHEMBL679150 0.71 CCNA2 (0.39) ALDH1A1MAPTSMN1; SMN2ELANEGAA
SCHEMBL8690658 0.71 HTT (0.41) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL15055388 0.70 BUB1 (0.42) ALDH1A1MAPTELANEGABRA1GABRG2
SCHEMBL30130701 0.70 ELANE (0.38) ALDH1A1MAPTSMN1; SMN2PDE4AELANE
SCHEMBL1412525 0.70 KMT2A (0.46) ALDH1A1MAPTSMN1; SMN2MAPK1ELANE

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 10 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

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 ALDH1A1 1451/4885MAPT 2810/4885SMN1; SMN2 4099/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885MAPT 2202/4885SMN1; SMN2 4139/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885MAPT 3026/4885SMN1; SMN2 4202/4885

“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.