SCHEMBL20636632

SCHEMBL20636632

COc1c(C(=O)NC2CCCCC2O)cc(Cc2ccc(-c3cn(C)nn3)cc2)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.56
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL19353594 1.00 CHRM1 (0.56) CHRM1CNR1CNR2
SCHEMBL20636630 1.00 CHRM1 (0.56) CHRM1CNR1CNR2
SCHEMBL20636651 0.99 CHRM1 (0.55) CHRM1CNR1CNR2
SCHEMBL20636654 0.99 CHRM1 (0.55) CHRM1CNR1CNR2
SCHEMBL20636653 0.99 CHRM1 (0.55) CHRM1CNR1CNR2
SCHEMBL20636682 0.92 CHRM1 (0.54) CHRM1
SCHEMBL20636664 0.91 CHRM1 (0.54) CHRM1CNR1
SCHEMBL20636649 0.91 CHRM1 (0.54) CHRM1
SCHEMBL20636637 0.91 CHRM1 (0.52) CHRM1CNR1CNR2
SCHEMBL20636674 0.91 CHRM1 (0.55) CHRM1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 EP disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 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 (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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 CHRM1 1/4885CNR1 85/4885CNR2 320/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 CHRM1 1/4885CNR1 85/4885CNR2 320/4885

“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.