SCHEMBL949956

SCHEMBL949956

Cc1ncc2n1C(=O)N(C1CCN(Cc3ccccc3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.48
CHRM2 P08172 4/20 0.48
F10 P00742 6/20 0.45
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
DRD3 P35462 5/20 0.45
F2 P00734 3/20 0.45
USP30 Q70CQ3 1/20 0.44
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPN P05981 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
HGFAC Q04756 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 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
SCHEMBL949174 0.94 CHRM2 (0.49) CHRM3CHRM2F10DRD2DRD4
SCHEMBL949180 0.79 F10 (0.49) CHRM3CHRM2F10DRD2DRD4
SCHEMBL947564 0.79 CHRM2 (0.45) CHRM3CHRM2F10DRD2DRD4
SCHEMBL3448689 0.78 ACHE (0.54) F10HPNPRSS1PRSS2PRSS3
SCHEMBL3448307 0.76 F10 (0.46) F10SMN1; SMN2ALDH1A1MAPK1HSD17B10
SCHEMBL950090 0.75 RECQL (0.45) CHRM3CHRM2F10DRD2DRD4
SCHEMBL948506 0.75 CHRM3 (0.42) CHRM3CHRM2F10DRD2DRD4
SCHEMBL947720 0.75 CHRM2 (0.50) CHRM3CHRM2F10DRD2DRD4
SCHEMBL6015060 0.74 F10 (0.51) F10F2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL948780 0.74 ACHE (0.43) CHRM3CHRM2F10DRD2DRD4

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 576/4885F10 545/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CHRM3 1727/4885CHRM2 1002/4885F10 490/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CHRM3 2902/4885CHRM2 855/4885F10 22/4885

“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.