SCHEMBL4970964

SCHEMBL4970964

CC(C)C[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52
CACNA1B Q00975 1/20 0.50
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
LNPEP Q9UIQ6 1/20 0.47
DPP4 P27487 2/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL16466450 0.87 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465286 0.87 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL20612426 0.87 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1623558 0.86 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL12722486 0.86 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL1623561 0.86 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16466269 0.86 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4975367 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465214 0.86 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL28018784 0.86 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 US disclosed
EP-1968590-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 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 (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-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 MEN1 1925/4885KMT2A 3532/4885NPSR1 145/4885

“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.