SCHEMBL19615314

SCHEMBL19615314

CCOC(=O)c1[nH]c2c(B3OC(C)(C)C(C)(C)O3)c(C)ccc2c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NQO2 P16083 1/20 0.34
UCHL1 P09936 1/20 0.33
GAA P10253 2/20 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
SCHEMBL21802166 0.85 HTR6 (0.35) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL19635394 0.84 HTR6 (0.44) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL19615278 0.83 MCL1 (0.53)
SCHEMBL29601766 0.82 KDM4E (0.33) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL19635012 0.82 KDM4E (0.33) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL17686312 0.78 MCL1 (0.51)
SCHEMBL19635845 0.78 HTR6 (0.46) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL22436710 0.76 HTR6 (0.34) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL22437338 0.76 HTR6 (0.35) HTR6HTR1DHTR1ADRD2DRD4
SCHEMBL22436697 0.74 MCL1 (0.49) HTR6

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 HTR6 228/4885HTR1D 126/4885HTR1A 83/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 HTR6 196/4885HTR1D 104/4885HTR1A 70/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 HTR6 207/4885HTR1D 122/4885HTR1A 72/4885

“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.