SCHEMBL9892896

SCHEMBL9892896

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
AR P10275 1/20 0.58
GRM4 Q14833 1/20 0.53
CYP3A4 P08684 2/20 0.51
RAB9A P51151 3/20 0.49
HPGD P15428 1/20 0.49
PDK2 Q15119 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 3/20 0.47
NR4A1 P22736 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL9892858 0.88 TSHR (0.59) TSHRCYP3A4RAB9AHPGDPDK2
SCHEMBL4006280 0.84 GRM4 (0.57) TSHRARGRM4RAB9AHPGD
SCHEMBL7751970 0.84 AR (0.55) TSHRARGRM4RAB9AMEN1
SCHEMBL2600217 0.83 KDR (0.69) TSHRGRM4CYP3A4HPGDMEN1
SCHEMBL463590 0.82 AR (0.62) ARGRM4MEN1KMT2AMAPT
SCHEMBL1903846 0.82 AR (0.63) ARGRM4MEN1KMT2ALMNA
SCHEMBL10472154 0.82 TSHR (0.73) TSHRCYP3A4RAB9AHPGDMEN1
Hydrochloric Acid SCHEMBL1907881 0.81 AR (0.61) ARGRM4MEN1KMT2ALMNA
SCHEMBL1904289 0.80 AR (0.64) ARGRM4RAB9AMEN1KMT2A
SCHEMBL8138993 0.80 AR (0.50) TSHRARGRM4CYP3A4MEN1

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-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 1019/4885AR 631/4885GRM4 529/4885

“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.