SCHEMBL19037447

SCHEMBL19037447

CCc1cc2c(nc1N1CCC(Oc3ccc4c(c3)COC4)[C@H](F)C1)CNC2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 5/20 0.58
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PRMT5 O14744 7/20 0.32
▸ WDR77 Q9BQA1 7/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ CTSV O60911 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSH P09668 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CTSC P53634 1/20 0.31
▸ CTSF Q9UBX1 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL19022664 1.00 CHRM4 (0.58) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL19046342 1.00 CHRM4 (0.58) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL19037445 1.00 CHRM4 (0.58) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL19022633 1.00 CHRM4 (0.58) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL21165382 0.91 CHRM4 (0.70) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL19022807 0.91 CHRM4 (0.70) CHRM4HTR1ADRD2HTR2APRMT5
SCHEMBL19023212 0.89 CHRM4 (0.53) CHRM4LRRK2FFAR1
SCHEMBL19037444 0.89 CHRM4 (0.53) CHRM4LRRK2FFAR1
SCHEMBL19037439 0.89 CHRM4 (0.53) CHRM4LRRK2FFAR1
SCHEMBL19023214 0.89 CHRM4 (0.53) CHRM4LRRK2FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 — — 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 (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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM1 CHRM4 2/4885HTR1A 94/4885DRD2 177/4885

“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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