SCHEMBL16341676

SCHEMBL16341676

COc1ccc(Cn2nc(C(=O)NCCCO)c(=O)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 7/20 0.62
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ P2RX4 Q99571 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CHRM1 P11229 6/20 0.47
▸ TP53 P04637 1/20 0.47
▸ BCHE P06276 5/20 0.46
▸ ACHE P22303 5/20 0.46
▸ ABCB1 P08183 1/20 0.46

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
SCHEMBL16341822 0.90 PTGER4 (0.64) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341447 0.84 PTGER4 (0.60) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL22416146 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341426 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341191 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341433 0.84 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL16341865 0.83 PTGER4 (0.66) PTGER4CNR1CNR2P2RX4CHRM1
SCHEMBL16340925 0.82 PTGER4 (0.63) PTGER4CNR1CNR2P2RX4CHRM1
SCHEMBL16341681 0.82 PTGER4 (0.62) PTGER4CNR1CNR2P2RX4ALOX15
SCHEMBL22416160 0.82 PTGER4 (0.50) PTGER4CNR1CNR2P2RX4ALOX15

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
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 — — EP disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 — — US disclosed
EP-2821401-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR Takeda Pharmaceutical Company Limited (JP) 2015-01-07 — — EP 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 (1 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-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR CHRM1, CHRM4, CHRM2 PTGER4 629/4885CNR1 13/4885CNR2 27/4885

“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.

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