SCHEMBL3448309

SCHEMBL3448309

CN1C=C2C(=O)N(N3CCN(Cc4ccccc4)CC3)CN2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CCR3 P51677 1/20 0.40

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
SCHEMBL3448276 0.82 ADRA1D (0.47) MC4RALDH1A1MAPTNPSR1MEN1
SCHEMBL949176 0.78 CHRM3 (0.51) SMN1; SMN2DRD4
SCHEMBL3448691 0.75 ACHE (0.57)
SCHEMBL6015137 0.74 KMT2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL949957 0.74 CHRM3 (0.49) SMN1; SMN2DRD4
SCHEMBL2855914 0.72 MC4R (0.56) MC4RALDH1A1SIGMAR1DRD4LMNA
SCHEMBL2856259 0.69 MC4R (0.53) MC4RALDH1A1SIGMAR1DRD4LMNA
SCHEMBL2859319 0.67 SIGMAR1 (0.56) MC4RALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2489199 0.67 SIGMAR1 (1.00) MC4RKMT2ASIGMAR1DRD4LMNA
SCHEMBL1415730 0.67 SIGMAR1 (1.00) MC4RKMT2ASIGMAR1DRD4LMNA

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 MC4R 3894/4885ALDH1A1 3712/4885MAPT 4264/4885

“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.