SCHEMBL10064221

SCHEMBL10064221

Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(C)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.78
GAA P10253 2/20 0.61
PKM P14618 1/20 0.61
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MDM2 Q00987 1/20 0.49

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
SCHEMBL13671936 0.96 CNR1 (0.85) CNR1GAAPKMNPSR1MEN1
SCHEMBL13805219 0.88 CNR1 (0.72) CNR1GAAPKMNPSR1MEN1
SCHEMBL4265815 0.88 CNR1 (1.00) CNR1L3MBTL1
SCHEMBL4267203 0.83 CNR1 (1.00) CNR1L3MBTL1
SCHEMBL4411453 0.82 CNR1 (0.82) CNR1GAAPKMNPSR1MEN1
SCHEMBL4265895 0.81 CNR1 (1.00) CNR1GAAPKML3MBTL1
SCHEMBL4271964 0.81 CNR1 (0.82) CNR1L3MBTL1
SCHEMBL4270676 0.81 CNR1 (0.78) CNR1GAAPKMMEN1KMT2A
SCHEMBL4270476 0.80 CNR1 (0.80) CNR1L3MBTL1
SCHEMBL4266711 0.80 CNR1 (0.80) CNR1L3MBTL1

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-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 CNR1 3300/4885GAA 1430/4885PKM 10/4885

“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.