SCHEMBL15328161

SCHEMBL15328161

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL15328391 1.00 PSMB5 (0.40) PSMB5POLBMEN1KMT2ACCR5
SCHEMBL15328600 0.84 CCR5 (0.38) PSMB5POLBMEN1KMT2ACCR5
SCHEMBL15328509 0.84 CCR5 (0.38) PSMB5POLBMEN1KMT2ACCR5
SCHEMBL15328466 0.82 PRMT5 (0.37) CNR2CNR1ALDH1A1LMNAMAPT
SCHEMBL12983594 0.80 KDM4E (0.38) POLBCCR5CNR2ALDH1A1CYP1A2
SCHEMBL15525027 0.76 PRMT5 (0.42) ALDH1A1CYP1A2CYP3A4TSHRCYP2C9
SCHEMBL15328395 0.76 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15328287 0.76 GAA (0.49) POLBKMT2AALDH1A1LMNATSHR
SCHEMBL15328525 0.76 BRAF (0.45) KMT2AALDH1A1LMNAMAPT
SCHEMBL12983841 0.75 GBA1 (0.39) CCR5ALDH1A1MAPTCYP1A2CYP3A4

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-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US 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
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP 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

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 PSMB5 1692/4885POLB 4027/4885MEN1 4108/4885

“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.