SCHEMBL19925995

SCHEMBL19925995

CC(C)(C)OC(=O)N1CCc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)O)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.38
▸ PRKCI P41743 3/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36

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
SCHEMBL19932659 0.93 P2RX3 (0.38) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL19932582 0.91 ADORA1 (0.41) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL28500321 0.89 CHRM1 (0.40) P2RX3CHRM1PDE2APDE11AP2RX7
SCHEMBL19925934 0.84 PTGER4 (0.43) P2RX3PRKCIMTORPARP1TNKS2
SCHEMBL28904624 0.83 CHRM1 (0.61) MTORCHRM1PDE2APDE11A
SCHEMBL19932658 0.83 CHRM1 (0.61) MTORCHRM1PDE2APDE11A
SCHEMBL19932597 0.74 ADORA1 (0.44) P2RX3MTORPARP1TNKS2PARP2
SCHEMBL23199846 0.72 PARP1 (0.47) P2RX3MTORPARP1TNKS2PARP2
SCHEMBL23202660 0.72 ADORA1 (0.48) P2RX3MTORPARP1TNKS2PARP2
SCHEMBL19667651 0.71 ESR2 (0.42) P2RX3GPR119ESR2

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-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 — — US disclosed
US-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 — — US disclosed
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 — — CN disclosed
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 — — US disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 — — US disclosed
EP-3507289-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Suven Life Sciences Limited (IN) 2019-07-10 — — EP disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — WO disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 — — 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 (2 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-11040026-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 P2RX3 497/4885PRKCI 2046/4885MTOR 2093/4885
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 P2RX3 497/4885PRKCI 2046/4885MTOR 2093/4885

“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.

Send feedback