SCHEMBL2004287

SCHEMBL2004287

CC1CN(C(=O)c2cnc3c(c2)N([S+]([O-])c2ccc(C(F)(F)F)cc2)CCO3)CC(C)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
LIPE Q05469 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.37
CDK6 Q00534 1/20 0.36
LRRK2 Q5S007 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 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
SCHEMBL2006557 0.91 GAA (0.39) KMT2AHPGDALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2000002 0.87 HPGD (0.47) HSD17B10KMT2AHPGDALDH1A1PIK3CA
SCHEMBL2007330 0.87 EPHX2 (0.47) HPGDALDH1A1SMN1; SMN2PIK3CAKCNH2
SCHEMBL2002032 0.84 HSD11B1 (0.35) KMT2AHPGDALDH1A1SMN1; SMN2HSD11B1
SCHEMBL2001530 0.82 CRHBP (0.44) NPC1LIPEHSD17B10KMT2AALDH1A1
SCHEMBL2008902 0.80 CPT1A (0.35) HSD17B10ALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2007329 0.78 KMT2A (0.41) NPC1KMT2AALDH1A1RAB9A
SCHEMBL2001763 0.78 CNR2 (0.34) ALDH1A1PIK3CATSHRKCNH2LMNA
SCHEMBL2001814 0.78 CNR1 (0.40) HSD17B10ALDH1A1SMN1; SMN2PIK3CA
SCHEMBL2005665 0.78 HTT (0.37) HSD17B10ALDH1A1SMN1; SMN2PIK3CALMNA

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-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 NPC1 1554/4885LIPE 2312/4885HSD17B10 3023/4885

“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.