SCHEMBL19634874

SCHEMBL19634874

Cn1nc(COc2ccc(C3CCOCC3)cc2)c(Br)c1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 3/20 0.43
AOC3 Q16853 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
GAA P10253 1/20 0.33
PDE9A O76083 2/20 0.33
ACACB O00763 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19635460 0.82 MRGPRX4 (0.42) AOC3GAAMRGPRX4MAPTMAPK1
SCHEMBL19635081 0.81 HRH3 (0.40) HRH3KCNH2AOC3CYP3A4CYP2C9
SCHEMBL19615233 0.80 HRH3 (0.39) HRH3KCNH2AOC3GAAPDE9A
SCHEMBL19635088 0.80 HRH3 (0.46) HRH3LMNA
SCHEMBL19615506 0.78 ALOX5 (0.47)
SCHEMBL19615129 0.77 NPC1 (0.38) KCNH2MAPTSMN1; SMN2
SCHEMBL19634875 0.76 HRH3 (0.40) HRH3KCNH2AOC3CYP3A4CYP2C9
SCHEMBL19615980 0.74 PTGS2 (0.36)
SCHEMBL19635391 0.73 MAPT (0.34) HRH3GAAMAPTTSHRMAPK1
SCHEMBL21802247 0.72 MAPT (0.44) GAAMAPTTSHRMAPK1LMNA

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 HRH3 104/4885KCNH2 1769/4885AOC3 2764/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 HRH3 95/4885KCNH2 1639/4885AOC3 2838/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 HRH3 94/4885KCNH2 1837/4885AOC3 2869/4885

“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.