SCHEMBL17525504

SCHEMBL17525504

CN(C)CCOCCNCCN1CCOc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.41
NOS1 P29475 5/20 0.41
NOS2 P35228 4/20 0.41
NPY5R Q15761 6/20 0.36
TSHR P16473 1/20 0.32
REN P00797 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL17525483 0.89 NOS3 (0.45) NOS3NOS1NOS2NPY5RTSHR
SCHEMBL17525484 0.87 NOS3 (0.43) NOS3NOS1NOS2NPY5RREN
SCHEMBL17859635 0.85 NOS3 (0.40) NOS3NOS1NOS2NPY5RTSHR
SCHEMBL17525505 0.84 NOS3 (0.41) NOS3NOS1NOS2NPY5RTSHR
SCHEMBL17525506 0.84 NOS3 (0.40) NOS3NOS1NOS2NPY5RHTR1A
SCHEMBL17525492 0.83 NOS3 (0.38) NOS3NOS1NOS2TSHRHTR1A
SCHEMBL17525502 0.83 NOS3 (0.39) NOS3NOS1NOS2NPY5RHTR1A
SCHEMBL17525486 0.83 NOS3 (0.40) NOS3NOS1NOS2NPY5RREN
SCHEMBL17859569 0.82 NOS3 (0.38) NOS3NOS1NOS2NPY5RTSHR
SCHEMBL17859566 0.82 NOS3 (0.38) NOS3NOS1NOS2NPY5RTSHR

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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 US disclosed
WO-2016020490-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2016-02-11 WO 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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING XDH, KRT18, CYC1 NOS3 602/4885NOS1 1127/4885NOS2 1676/4885

“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.