SCHEMBL949957

SCHEMBL949957

CN1C=C2C(=O)N(C3CCN(Cc4ccccc4)C3)CN2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.49
CHRM2 P08172 6/20 0.49
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
BACE1 P56817 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
SCHEMBL949176 0.93 CHRM3 (0.51) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949182 0.77 CHRM2 (0.46) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL947566 0.77 CHRM3 (0.44) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL3448691 0.76 ACHE (0.57) ACHE
SCHEMBL3448276 0.74 ADRA1D (0.47) DRD4SMN1; SMN2
SCHEMBL3448309 0.74 MC4R (0.47) DRD4SMN1; SMN2
SCHEMBL950091 0.73 RECQL (0.44) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL13898835 0.72 CHRM3 (0.56) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL948508 0.72 CHRM3 (0.40) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL949322 0.72 CHRM3 (0.40) CHRM3CHRM2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (3 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CHRM3 1166/4885CHRM2 576/4885PRKCG 3670/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CHRM3 1727/4885CHRM2 1002/4885PRKCG 3487/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CHRM3 2902/4885CHRM2 855/4885PRKCG 3701/4885

“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.