SCHEMBL6045459

SCHEMBL6045459

Cn1ccnc1C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 2/20 0.45
NPFFR2 Q9Y5X5 2/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MC4R P32245 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRM1 P35372 1/20 0.41
CHRM2 P08172 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9372890 0.81 NPFFR1 (0.45) NPFFR1NPFFR2CYP3A4HSD17B10MC4R
SCHEMBL30122291 0.76 OPRL1 (0.58) NPFFR1NPFFR2CYP3A4HSD17B10SIGMAR1
SCHEMBL6045724 0.75 NPFFR1 (0.44) NPFFR1NPFFR2CYP3A4HSD17B10SIGMAR1
SCHEMBL9744423 0.75 NPFFR1 (0.56) NPFFR1NPFFR2CYP3A4HSD17B10MC4R
SCHEMBL6045663 0.74 LMNA (0.47) NPFFR1NPFFR2CYP3A4HSD17B10SIGMAR1
SCHEMBL6045466 0.73 NPFFR1 (0.46) NPFFR1NPFFR2CYP3A4HSD17B10MC4R
SCHEMBL20493367 0.72 OPRD1 (0.58) HSD17B10SIGMAR1CYP2D6OPRD1OPRK1
SCHEMBL6045533 0.71 CYP3A4 (0.45) NPFFR1NPFFR2CYP3A4HSD17B10SIGMAR1
SCHEMBL6045437 0.71 CYP2D6 (0.47) EGLN1CYP3A4SIGMAR1CYP2C19CYP2D6
SCHEMBL6045546 0.71 NPFFR1 (0.55) NPFFR1NPFFR2CYP3A4HSD17B10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR NPFFR1 39/4885NPFFR2 80/4885EGLN1 1986/4885

“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.