SCHEMBL17859615

SCHEMBL17859615

CC[N+](C)(C)CCN1CCOc2cc(N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.37
NOS1 P29475 4/20 0.37
NOS2 P35228 3/20 0.36
MAPT P10636 4/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
REN P00797 1/20 0.33
AR P10275 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
RAD52 P43351 2/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPY5R Q15761 2/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL17859613 0.90 NOS3 (0.37) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859630 0.88 NOS3 (0.38) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859674 0.88 NOS3 (0.37) NOS3NOS1NOS2MAPTGAA
SCHEMBL5517360 0.84 AR (0.44) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859618 0.84 NOS3 (0.35) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859629 0.83 HTR1A (0.37) NOS3NOS1NOS2MAPTGAA
SCHEMBL20175321 0.81 REN (0.40) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859616 0.81 NOS3 (0.36) NOS3NOS1NOS2MAPTGAA
SCHEMBL5516550 0.81 NR3C1 (0.41) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859617 0.80 NOS3 (0.35) NOS3NOS1NOS2RENHTR1A

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-20170327690-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING OREAL (FR) 2017-11-16 US disclosed
WO-2016097023-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2016-06-23 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-20170327690-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING TYR, CAT, CYC1 NOS3 653/4885NOS1 685/4885NOS2 725/4885

“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.