SCHEMBL4821085

SCHEMBL4821085

CN(C)CCNc1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.72
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
GAA P10253 2/20 0.68
GLA P06280 1/20 0.68
NUDT1 P36639 3/20 0.59
SLC2A1 P11166 2/20 0.58
TLR9 Q9NR96 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
NCF1 P14598 2/20 0.53
TOP2A P11388 1/20 0.53
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACP1 P24666 2/20 0.52

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
SCHEMBL1684021 0.85 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL27873797 0.82 ALDH1A1 (0.71) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL1090319 0.82 TLR9 (0.67) KDM4EALDH1A1GAATLR9KMT2A
SCHEMBL6330986 0.81 ALDH1A1 (0.73) SCN9AKDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL6336714 0.79 KDM4E (0.71) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL1289837 0.78 SCN9A (1.00) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL1089104 0.75 MRGPRX1 (0.63) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL27763968 0.75 NUDT1 (1.00) SCN9AKDM4EALDH1A1HPGDGAA
SCHEMBL29713600 0.74 TLR9 (0.95) ALDH1A1TLR9KMT2AMEN1TOP2A
SCHEMBL1085391 0.74 TLR9 (0.95) ALDH1A1TLR9KMT2AMEN1TOP2A

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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R SCN9A 1679/4885KDM4E 1351/4885ALDH1A1 3912/4885

“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.