SCHEMBL1996818

SCHEMBL1996818

CC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)c2cc(C(=O)NCC3CCOCC3)ccc2S1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 4/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
PDE4B Q07343 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RORC P51449 4/20 0.39
USP5 P45974 1/20 0.39
GNRHR P30968 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL1993673 0.81 CNR2 (0.73) CNR1CNR2ALDH1A1POLBMEN1
SCHEMBL4049757 0.81 ALDH1A1 (0.47) CNR1CNR2LMNASMN1; SMN2ALDH1A1
SCHEMBL1999477 0.80 CNR1 (0.51) CNR1CNR2LMNASMN1; SMN2RORC
SCHEMBL2000823 0.77 CNR1 (0.48) CNR1CNR2LMNASMN1; SMN2HPGD
SCHEMBL2008950 0.75 RORC (0.53) CNR1CNR2LMNASMN1; SMN2HPGD
SCHEMBL12567617 0.75 CNR1 (0.46) CNR1CNR2RORCGNRHR
SCHEMBL2002470 0.74 MAPT (0.45) CNR2LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL1999752 0.74 MAPT (0.45) CNR1CNR2SMN1; SMN2MEN1KMT2A
SCHEMBL2000042 0.72 TSHR (0.47) SMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL13907098 0.71 CPT2 (0.47) CNR1CNR2POLBMEN1KMT2A

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-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 CNR1 1/4885CNR2 2/4885LMNA 3328/4885

“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.