SCHEMBL4975367

SCHEMBL4975367

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
PLAU P00749 3/20 0.48
PLAUR Q03405 3/20 0.48
DPP4 P27487 2/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
GAA P10253 1/20 0.48
P2RY12 Q9H244 1/20 0.46
CA1 P00915 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
SCHEMBL16466269 0.89 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL28018784 0.89 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465214 0.89 HDAC8 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL18888869 0.87 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4970964 0.86 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16465286 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16466450 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL20612426 0.85 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970912 0.84 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4814264 0.84 MEN1 (0.76) 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 6 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
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.