SCHEMBL3448276

SCHEMBL3448276

CN1C=C2C(=O)N(CCN3CCN(Cc4ccccc4)CC3)CN2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MC4R P32245 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CCR3 P51677 1/20 0.43
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 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
SCHEMBL3448691 0.85 ACHE (0.57)
SCHEMBL3448309 0.82 MC4R (0.47) ADRA1DADRA1AADRA1BMC4RMEN1
SCHEMBL949176 0.78 CHRM3 (0.51) SMN1; SMN2DRD4
SCHEMBL949957 0.74 CHRM3 (0.49) SMN1; SMN2DRD4
SCHEMBL6659339 0.72 SIGMAR1 (0.86) MC4RKMT2ASIGMAR1CCR3DRD4
SCHEMBL4419316 0.68 ADRA1D (0.74) ADRA1DADRA1AADRA1B
SCHEMBL11706610 0.68 FAAH (0.53) ADRA1DADRA1AADRA1BMC4RSIGMAR1
SCHEMBL3061933 0.68 SIGMAR1 (0.75) MC4RSIGMAR1CCR3DRD4LMNA
SCHEMBL8188324 0.67 SIGMAR1 (1.00) MC4RKMT2ASIGMAR1CCR3DRD4
SCHEMBL1415730 0.67 SIGMAR1 (1.00) MC4RKMT2ASIGMAR1CCR3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 ADRA1D 3266/4885ADRA1A 3404/4885ADRA1B 3181/4885

“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.