SCHEMBL115980

SCHEMBL115980

NCC(NC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.55
RPS6KA5 O75582 2/20 0.55
AKT1 P31749 2/20 0.55
GSK3B P49841 2/20 0.55
NEK4 P51957 2/20 0.55
PRKCD Q05655 2/20 0.55
PRKG2 Q13237 2/20 0.55
PRKG1 Q13976 2/20 0.55
PKN2 Q16513 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
ROCK2 O75116 2/20 0.55
MAPK13 O15264 1/20 0.55
DYRK3 O43781 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
PRKCG P05129 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
RPS6KB1 P23443 1/20 0.55

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
SCHEMBL4598191 1.00 ROCK1 (0.55) ROCK1RPS6KA5AKT1GSK3BNEK4
Hydrochloric Acid SCHEMBL7973435 0.98 RPS6KA5 (0.54) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL8652164 0.86 RPS6KA5 (0.54) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL7433148 0.85 RPS6KA5 (0.52) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL5672684 0.85 RPS6KA5 (0.52) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL10323207 0.85 HRH1 (0.50) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL21268612 0.84 ALDH1A1 (0.45) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL10707471 0.84 ALDH1A1 (0.45) ROCK1RPS6KA5AKT1GSK3BNEK4
SCHEMBL20544796 0.83 GABBR2 (0.53) GABBR2GABBR1KCNH2SCN5APHGDH
SCHEMBL22805483 0.83 CNR2 (0.44) ROCK1RPS6KA5AKT1GSK3BNEK4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
EP-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
EP-3365324-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-08-29 EP disclosed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009152082-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-17 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ROCK1 4719/4885RPS6KA5 1357/4885AKT1 3617/4885
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A ROCK1 2182/4885RPS6KA5 1252/4885AKT1 3278/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 ROCK1 3534/4885RPS6KA5 820/4885AKT1 4523/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO ROCK1 1857/4885RPS6KA5 1809/4885AKT1 2588/4885

“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.