SCHEMBL3448274

SCHEMBL3448274

Cc1ncc2n1C(=O)N(CCN1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
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
SCHEMBL3448689 0.86 ACHE (0.54)
SCHEMBL3448307 0.82 F10 (0.46) MC4RKCNH2LMNAPOLBSIGMAR1
SCHEMBL3449592 0.80 MC4R (0.44) MC4RDRD3KCNH2LMNAPOLB
SCHEMBL949174 0.78 CHRM2 (0.49) DRD3
SCHEMBL949956 0.75 CHRM3 (0.48) DRD3
SCHEMBL5775595 0.72 SIGMAR1 (0.50) MC4RKCNH2LMNAPOLBSIGMAR1
SCHEMBL6659339 0.70 SIGMAR1 (0.86) MC4RLMNAPOLBSIGMAR1KMT2A
SCHEMBL9389160 0.69 ALDH1A1 (0.51) MC4RDRD3KCNH2SIGMAR1
SCHEMBL3448983 0.67 ACHE (0.55)
SCHEMBL11706610 0.65 FAAH (0.53) MC4RSIGMAR1CCR3

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.