SCHEMBL3449592

SCHEMBL3449592

Cc1nc(C)n2c1CN(CCN1CCN(Cc3ccccc3)CC1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCC1 P33527 1/20 0.42
HTT P42858 2/20 0.42
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL3448983 0.85 ACHE (0.55)
SCHEMBL3449875 0.82 LMNA (0.44) MC4RDRD3KCNH2LMNAPOLB
SCHEMBL3448274 0.80 MC4R (0.43) MC4RDRD3KCNH2LMNAPOLB
SCHEMBL947720 0.78 CHRM2 (0.50) DRD3SMN1; SMN2
SCHEMBL6659339 0.71 SIGMAR1 (0.86) MC4RLMNAPOLBSIGMAR1KMT2A
SCHEMBL3061933 0.69 SIGMAR1 (0.75) MC4RLMNAPOLBSIGMAR1L3MBTL1
SCHEMBL9389160 0.67 ALDH1A1 (0.51) MC4RDRD3KCNH2SIGMAR1ALDH1A1
SCHEMBL11706610 0.66 FAAH (0.53) MC4RSIGMAR1TSHRCCR3
SCHEMBL27550316 0.66 SIGMAR1 (0.62) MC4RDRD3LMNAPOLBSIGMAR1
SCHEMBL8188324 0.66 SIGMAR1 (1.00) MC4RLMNAPOLBSIGMAR1KMT2A

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 3894/4885DRD3 1677/4885KCNH2 819/4885

“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.