SCHEMBL16593397

SCHEMBL16593397

COc1ccc2c(n1)c(C(=O)N[C@H]1CCCC[C@@H]1O)cn2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 13/20 0.49
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ TYK2 P29597 3/20 0.40

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
SCHEMBL16593426 0.88 CHRM1 (0.45) CHRM1CNR2TYK2
SCHEMBL16593415 0.85 CHRM1 (0.46) CHRM1CNR2CNR1
SCHEMBL16593442 0.82 CHRM1 (0.49) CHRM1CNR2CNR1
SCHEMBL16593347 0.81 CHRM1 (0.64) CHRM1
SCHEMBL18027673 0.81 CHRM1 (0.64) CHRM1
SCHEMBL22001373 0.81 CHRM1 (0.64) CHRM1
SCHEMBL16593306 0.79 CHRM1 (0.64) CHRM1
SCHEMBL16593502 0.77 CHRM1 (0.44) CHRM1CNR2CNR1TYK2
SCHEMBL16593675 0.77 CHRM1 (0.52) CHRM1CNR1TYK2
SCHEMBL16606156 0.76 CHRM1 (0.43) CHRM1CNR2CNR1

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-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
EP-3052496-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-11-28 — — EP disclosed
US-10072005-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-09-11 — — US disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 — — US disclosed
US-9926312-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-03-27 — — US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 — — US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 — — US 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 (4 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-10072005-B2 4-azaindole derivatives CHRM1, CHRM4, CHRM2 CHRM1 1/4885CNR2 215/4885CNR1 102/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 CHRM1 1/4885CNR2 215/4885CNR1 102/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 CHRM1 1/4885CNR2 215/4885CNR1 102/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 CHRM1 1/4885CNR2 215/4885CNR1 102/4885

“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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