SCHEMBL1969971

SCHEMBL1969971

CCOC(=O)C1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.54
CHRM1 P11229 10/20 0.54
CHRM2 P08172 8/20 0.54
CHRM4 P08173 8/20 0.54
CHRM3 P20309 8/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ADORA1 P30542 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL1097364 0.92 CHRM5 (0.62) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474558 0.91 CHRM5 (0.65) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3013917 0.90 CHRM5 (0.55) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL1105974 0.89 CHRM5 (0.51) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3003772 0.89 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3003920 0.88 CHRM5 (0.57) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL18971918 0.85 MEN1 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3982599 0.85 SLC6A3 (0.53) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3008719 0.85 MEN1 (0.46) CHRM5CHRM1MEN1KMT2A
SCHEMBL1105796 0.85 MEN1 (0.50) CHRM5CHRM1CHRM2CHRM4CHRM3

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B CHRM5 210/4885CHRM1 90/4885CHRM2 95/4885

“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.