SCHEMBL3036012

SCHEMBL3036012

O=c1[nH]c2ccc(OC(F)(F)F)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
KIF11 P52732 1/20 0.51
GRIA1 P42261 1/20 0.50
CACNG8 Q8WXS5 1/20 0.50
CES1 P23141 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TRPA1 O75762 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR3 P46089 1/20 0.42
PKM P14618 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL462640 0.89 MAPT (0.54) KDM4ECRHBPCRHR2KIF11GRIA1
SCHEMBL7030752 0.83 KDM4E (0.60) KDM4ECRHBPCRHR2KIF11GRIA1
SCHEMBL7033184 0.83 KIF11 (0.58) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL20838849 0.81 GRIA1 (0.57) KDM4ECRHBPCRHR2GRIA1CACNG8
SCHEMBL18190756 0.79 GRIA1 (0.49) KDM4ECRHBPCRHR2GRIA1CACNG8
SCHEMBL22425116 0.78 EPHX2 (0.66) KDM4EKMT2APOLBL3MBTL1MAPT
SCHEMBL3780885 0.75 MAPT (0.53) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL29456231 0.75 MAPT (0.53) KDM4ECRHBPCRHR2KIF11CES1
SCHEMBL18193473 0.75 PDE3B (0.48) KDM4EGRIA1CACNG8GAAKMT2A
SCHEMBL2107333 0.75 HSD17B10 (0.66) KDM4EKMT2APDE3BPDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790169-B Cyanopyrrolidine derivatives having activity as USP30 inhibitors 特殊治疗有限公司 2022-03-29 CN disclosed
EP-3519412-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-12-01 EP disclosed
US-11084821-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-10 US disclosed
US-20200199126-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2020-06-25 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists BARTON NICHOLAS PAUL 2010-08-26 US disclosed
WO-2008129007-A1 BENZIMIDAZOLES WITH A HETERO SPIRO-DECANE RESIDUE AS NPY-Y5 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
EP-1753423-A2 BENZOUREAS HAVING ANTI-DIABETIC ACTIVITY Merck & Co., Inc. (US) 2007-02-21 EP disclosed
WO-2006022954-A2 BENZOUREAS HAVING ANTI-DIABETIC ACTIVITY MERCK & CO., INC. (US) 2006-03-02 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 (4 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-20200199126-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP1, USP28 KDM4E 1215/4885CRHBP 1337/4885CRHR2 4079/4885
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity PPARD, PPARG, GPR119 KDM4E 1266/4885CRHBP 3727/4885CRHR2 2478/4885
US-11084821-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 KDM4E 1135/4885CRHBP 1236/4885CRHR2 4012/4885
US-20100216821-A1 Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists NPY5R, NPY4R, NPY1R KDM4E 1611/4885CRHBP 486/4885CRHR2 34/4885

“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.