SCHEMBL16600192

SCHEMBL16600192

[CH2]C(=O)N1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.61
NOTUM Q6P988 2/20 0.57
HTR2A P28223 4/20 0.55
HTR2C P28335 4/20 0.55
XIAP P98170 1/20 0.53
BIRC2 Q13490 1/20 0.53
ROCK1 Q13464 1/20 0.46
HTR2B P41595 2/20 0.44
TRPV1 Q8NER1 1/20 0.42
BTK Q06187 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B3 P37058 1/20 0.40
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRIM24 O15164 1/20 0.39

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
SCHEMBL2530222 0.86 CNR2 (0.62) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL30038606 0.85 NOTUM (0.78) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL23207270 0.81 XIAP (0.58) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL8893534 0.81 XIAP (0.58) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL27544652 0.78 CNR2 (0.53) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL9393577 0.77 CNR2 (0.52) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL10241674 0.77 NOTUM (0.66) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL16600474 0.76 NOTUM (0.71) NOTUMHTR2AHTR2CXIAPBIRC2
SCHEMBL15544353 0.76 CNR2 (1.00) CNR2NOTUMHTR2AHTR2CXIAP
SCHEMBL19411099 0.76 CNR2 (0.49) CNR2NOTUMHTR2AHTR2CXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 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-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 CNR2 4733/4885NOTUM 2534/4885HTR2A 3407/4885

“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.