SCHEMBL18501523

SCHEMBL18501523

CCOC(=O)c1noc(-c2cc(C)ccc2F)c1OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.37
HTT P42858 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 4/20 0.35
THRB P10828 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL18490117 0.89 GABRG2 (0.40) GABRG2GABRB3GABRA5MAOAMAOB
SCHEMBL18501532 0.81 TDP2 (0.42) TDP2HTTGABRG2GABRB3GABRA5
SCHEMBL18501524 0.81 FFAR4 (0.34) MAOBNPC1RAB9ALMNAHCRTR1
SCHEMBL18501529 0.80 TDP2 (0.41) TDP2HTTGABRG2GABRB3GABRA5
SCHEMBL18490108 0.73 MAOA (0.35) TDP2MAOAMAOBTP53THRB
SCHEMBL20028542 0.72 KDM4E (0.41) ALOX5NPC1RAB9AHPGD
SCHEMBL18490137 0.70 MAOA (0.39) HTTMAOAMAOBTP53THRB
SCHEMBL18490195 0.70 FFAR4 (0.39) HTT
SCHEMBL18490109 0.69 EED (0.40) TDP2GABRG2GABRB3GABRA5THRB
SCHEMBL18490104 0.69 FFAR1 (0.38) TDP2GABRG2GABRB3GABRA5THRB

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-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 US disclosed
US-9856245-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-01-02 US disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 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 (3 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 TDP2 4772/4885HTT 3913/4885GABRG2 576/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 TDP2 4545/4885HTT 3732/4885GABRG2 294/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 TDP2 4122/4885HTT 3581/4885GABRG2 133/4885

“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.