SCHEMBL5517360

SCHEMBL5517360

CCCN1CCOc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
NOS3 P29474 4/20 0.40
NOS1 P29475 4/20 0.40
NOS2 P35228 3/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 3/20 0.39
REN P00797 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAD52 P43351 2/20 0.36
GFER P55789 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL20175321 0.91 REN (0.40) ARNOS3NOS1NOS2MAPT
SCHEMBL15266859 0.88 AR (0.44) ARNOS3NOS1NOS2MAPT
SCHEMBL5516550 0.88 NR3C1 (0.41) ARNOS3NOS1NOS2MAPT
SCHEMBL29631754 0.85 NOS3 (0.40) NOS3NOS1NOS2MAPTGAA
SCHEMBL11969208 0.85 NOS3 (0.40) NOS3NOS1NOS2MAPTGAA
SCHEMBL17525516 0.85 NOS3 (0.43) ARNOS3NOS1NOS2MAPT
SCHEMBL8238626 0.84 GRM5 (0.44) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859630 0.84 NOS3 (0.38) NOS3NOS1NOS2MAPTGAA
SCHEMBL218638 0.84 NOS3 (0.54) NOS3NOS1NOS2MAPTGAA
SCHEMBL17859615 0.84 NOS3 (0.37) ARNOS3NOS1NOS2MAPT

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 9 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
US-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 US disclosed
US-20170327690-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING OREAL (FR) 2017-11-16 US disclosed
US-20170327690-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING OREAL (FR) 2017-11-16 US disclosed
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 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 (4 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 AR 228/4885NOS3 602/4885NOS1 1127/4885
US-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NOS3 2873/4885NOS1 2850/4885
US-20170327690-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING TYR, CAT, CYC1 AR 279/4885NOS3 653/4885NOS1 685/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NOS3 2873/4885NOS1 2850/4885

“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.