SCHEMBL19635348

SCHEMBL19635348

CCOC(=O)CCc1c(C(=O)OCC)[nH]c2c(Br)c(C)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL19635472 0.91 GPR17 (0.49) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622363 0.88 HTR6 (0.43) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL22436712 0.88 HTR6 (0.45) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL19616022 0.87 HTR6 (0.46) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL19635845 0.87 HTR6 (0.46) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622518 0.86 MAPK1 (0.46) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL4168724 0.83 HTR6 (0.50) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622132 0.81 MAPK1 (0.46) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2202482 0.79 GPR17 (0.57) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL4175244 0.78 CYP1A2 (0.45) HTR6HTR1ADRD2DRD4HTR1D

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 HTR6 228/4885HTR1A 83/4885DRD2 148/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 HTR6 196/4885HTR1A 70/4885DRD2 121/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 HTR6 207/4885HTR1A 72/4885DRD2 160/4885

“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.