SCHEMBL2880256

SCHEMBL2880256

COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(F)c32)cc1F

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.76
ALKBH1 Q13686 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
DBH P09172 1/20 0.43
TOP1 P11387 3/20 0.42
P2RX7 Q99572 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2877807 0.87 CHRM1 (0.74) CHRM1LMNAHTT
SCHEMBL16341817 0.86 CHRM1 (1.00) CHRM1SMN1; SMN2P2RX7LMNARAB9A
SCHEMBL3240976 0.86 CHRM1 (0.56) CHRM1ALKBH1SMN1; SMN2TDP1DBH
SCHEMBL3234190 0.85 CHRM1 (0.67) CHRM1TDP1LMNA
SCHEMBL3235478 0.85 CHRM1 (0.67) CHRM1SMN1; SMN2TDP1TOP1LMNA
SCHEMBL2883219 0.85 CHRM1 (0.76) CHRM1P2RX7LMNARAB9A
SCHEMBL2485404 0.83 CHRM1 (0.93) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL2883197 0.81 CHRM1 (0.80) CHRM1SMN1; SMN2TOP1LMNA
SCHEMBL2881808 0.80 CHRM1 (0.70) CHRM1SMN1; SMN2LMNAHTT
SCHEMBL14413508 0.80 CHRM1 (0.78) CHRM1SMN1; SMN2TOP1LMNAHTT

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
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US claimed
US-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2010-12-16 US claimed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 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-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, MTNR1A CHRM1 1/4885ALKBH1 4220/4885SMN1; SMN2 1939/4885

“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.