SCHEMBL1999582

SCHEMBL1999582

O=C(O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(C(F)(F)F)CC1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.41
RORC P51449 6/20 0.34
MGAM O43451 1/20 0.32
VNN1 O95497 1/20 0.32
KCNT1 Q5JUK3 2/20 0.32
MAPT P10636 2/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SPR P35270 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
GALK1 P51570 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
SCHEMBL2005390 0.90 CPT1A (0.42) CPT1ARORCMGAMMAPTCYP2C9
SCHEMBL2002383 0.88 CPT1A (0.43) CPT1ARORCVNN1KCNT1MAPT
SCHEMBL1997441 0.87 CPT1A (0.43) CPT1AKDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL2001377 0.86 CPT1A (0.44) CPT1ARORCKCNT1
SCHEMBL2002060 0.86 CPT1A (0.44) CPT1ARORCMGAMMAPTPOLB
SCHEMBL2008008 0.85 CPT1A (0.44) CPT1ARORCMGAMMAPTPOLB
SCHEMBL2000724 0.85 CPT1A (0.44) CPT1ARORCMAPTCYP2C9CYP2C19
SCHEMBL2005066 0.84 CPT1A (0.42) CPT1AKDM4EALDH1A1
SCHEMBL2000863 0.84 CPT1A (0.43) CPT1A
SCHEMBL2002327 0.83 CPT1A (0.42) CPT1ARORCCNR1

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 8 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-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
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
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 WO disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 CPT1A 3067/4885RORC 122/4885MGAM 3930/4885

“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.