SCHEMBL2008016

SCHEMBL2008016

CC1CC(C)CN(C(=O)c2cnc3c(c2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO3)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 4/20 0.42
NR1H3 Q13133 2/20 0.40
NR1H2 P55055 1/20 0.40
CPT1A P50416 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2001530 0.91 CRHBP (0.44) KMT2ASMN1; SMN2RORCNR1H3NR1H2
SCHEMBL2004171 0.86 EPHX2 (0.47) POLBRORCNR1H3NR1H2HPGD
SCHEMBL2001989 0.86 HPGD (0.48) KMT2APOLBLMNARORCNR1H3
SCHEMBL2002839 0.85 RORC (0.48) RORCNR1H3NR1H2CPT1AMAPT
SCHEMBL12570135 0.85 RORC (0.44) RORCNR1H3NR1H2CPT1AMAPT
SCHEMBL2006881 0.84 RORC (0.42) SMN1; SMN2RORCNR1H3NR1H2CPT1A
SCHEMBL2006883 0.84 RORC (0.42) SMN1; SMN2RORCNR1H3NR1H2CPT1A
SCHEMBL2000444 0.84 RORC (0.49) RORCNR1H3NR1H2CPT1AGAA
SCHEMBL2002378 0.83 LMNA (0.47) LMNARORCNR1H3NR1H2CPT1A
SCHEMBL2002379 0.83 LMNA (0.47) LMNARORCNR1H3NR1H2CPT1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
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
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 KMT2A 3804/4885POLB 3140/4885LMNA 3572/4885

“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.