SCHEMBL2728012

SCHEMBL2728012

COc1cc(F)c(C#N)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
AR P10275 5/20 0.37
PGR P06401 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL31510972 0.93 TRPV4 (0.41) TRPV4KDM4EUSP2ALDH1A1HTR2A
SCHEMBL14720180 0.85 ALDH1A1 (0.44) KDM4EUSP2ALDH1A1HTR2ACYP11B1
SCHEMBL30266491 0.84 TRPV4 (0.47) TRPV4KDM4EUSP2ALDH1A1HTR2A
SCHEMBL10537256 0.84 TRPV4 (0.47) TRPV4KDM4EUSP2ALDH1A1HTR2A
SCHEMBL11963120 0.82 TRPV4 (0.50) TRPV4KDM4EUSP2ALDH1A1HTR2A
SCHEMBL16122074 0.82 KDM4E (0.48) TRPV4KDM4EUSP2ALDH1A1HTR2A
SCHEMBL28691142 0.82 XDH (0.38) TRPV4KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL29447083 0.82 XDH (0.38) TRPV4KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL4001974 0.81 CYP11B1 (0.42) TRPV4HTR2AHTR2CCYP11B1CYP11B2
SCHEMBL31753998 0.80 AR (0.41) TRPV4ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303547-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-09-28 US disclosed
US-20230303547-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-09-28 US disclosed
EP-4161920-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2023-04-12 EP disclosed
CN-115698001-A N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2023-02-03 CN disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (2 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 384/4885KDM4E 1908/4885USP2 4693/4885
US-20230303547-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS USP30, USP1, USP47 TRPV4 4830/4885KDM4E 974/4885USP2 5/4885

“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.