SCHEMBL15328600

SCHEMBL15328600

Cc1cc(N2CCOCC2)cc(C2CC2)c1C(=O)NCC[C@@H](O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
PSMB5 P28074 1/20 0.37
POLB P06746 1/20 0.36
F10 P00742 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
VDR P11473 1/20 0.34
CNR2 P34972 2/20 0.33
PLAU P00749 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL15328509 1.00 CCR5 (0.38) CCR5PSMB5POLBF10MAPT
SCHEMBL15328161 0.84 PSMB5 (0.40) CCR5PSMB5POLBMAPTKMT2A
SCHEMBL15328391 0.84 PSMB5 (0.40) CCR5PSMB5POLBMAPTKMT2A
SCHEMBL15328398 0.83 PRMT5 (0.36) CCR5F10MAPTCNR2
SCHEMBL30795041 0.81 GBA1 (0.39) CCR5MAPTCYP1A2CYP3A4ALDH1A1
SCHEMBL12983841 0.81 GBA1 (0.39) CCR5MAPTCYP1A2CYP3A4ALDH1A1
SCHEMBL15328484 0.76 GAA (0.48) KMT2ACYP3A4TSHRALDH1A1CYP2D6
SCHEMBL15328400 0.76 KMT2A (0.47) KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL15328121 0.76 BRAF (0.45) MAPTKMT2A
SCHEMBL15328356 0.75 ALDH1A1 (0.44) POLBMAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US claimed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP claimed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO claimed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US claimed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
US-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 US disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 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 (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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 CCR5 4738/4885PSMB5 1692/4885POLB 4027/4885

“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.