SCHEMBL9892858

SCHEMBL9892858

CCC(=O)Nc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
EPHX2 P34913 5/20 0.55
CYP3A4 P08684 2/20 0.51
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
PDK2 Q15119 1/20 0.48
POLB P06746 3/20 0.47
NR4A1 P22736 1/20 0.47
GSTO1 P78417 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9892896 0.88 TSHR (0.63) TSHRCYP3A4RAB9AHPGDPDK2
SCHEMBL9728171 0.86 EPHX2 (0.47) TSHREPHX2RAB9AHPGDGSTO1
SCHEMBL1192735 0.82 MAP2K1 (0.54) EPHX2SMN1; SMN2
SCHEMBL10472154 0.82 TSHR (0.73) TSHRCYP3A4RAB9AHPGDPOLB
SCHEMBL1780905 0.80 EPHX2 (0.49) EPHX2RAB9AKMT2AMEN1NPC1
SCHEMBL2600217 0.80 KDR (0.69) TSHREPHX2CYP3A4HPGDPOLB
SCHEMBL9891510 0.79 L3MBTL1 (0.56) EPHX2CYP3A4ALDH1A1MAPT
SCHEMBL9891897 0.79 ALDH1A1 (0.62) TSHREPHX2CYP3A4RAB9APDK2
SCHEMBL14241325 0.79 TSHR (0.64) TSHRCYP3A4RAB9AHPGDPOLB
SCHEMBL20560686 0.79 KCNQ3 (0.53) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TSHR 1019/4885EPHX2 1060/4885CYP3A4 879/4885

“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.