SCHEMBL19616009

SCHEMBL19616009

CCOC(=O)c1cc(C)n(CCOC)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 4/20 0.40
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL12050045 0.86 CYP1A2 (0.45) GAACYP1A2AURKARPS6KB1POLB
SCHEMBL21964575 0.86 ALDH1A1 (0.43) CNR1CNR2GAATSHRHSD17B10
SCHEMBL1233462 0.85 CYP1A2 (0.44) GAACYP1A2AURKARPS6KB1POLB
SCHEMBL1232307 0.84 KDM4E (0.44) CNR1CNR2GAACYP1A2POLB
SCHEMBL31459316 0.83 GAA (0.42) CNR1CNR2GAATSHRHSD17B10
SCHEMBL6078187 0.83 CNR1 (0.45) CNR1CNR2GAATSHRAURKA
SCHEMBL1234127 0.83 AURKA (0.52) GAACYP1A2AURKARPS6KB1POLB
SCHEMBL29834790 0.82 CNR2 (0.46) CNR1CNR2CYP1A2KDM4E
SCHEMBL6077974 0.81 KMT2A (0.38) GAATSHRCYP1A2AURKARPS6KB1
SCHEMBL1233457 0.81 CNR1 (0.43) CNR1CNR2GAATSHRHSD17B10

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 CNR1 163/4885CNR2 256/4885GAA 3918/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 CNR1 157/4885CNR2 226/4885GAA 4215/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 CNR1 183/4885CNR2 278/4885GAA 4042/4885

“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.