SCHEMBL398799

SCHEMBL398799

C=C(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PKM P14618 2/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL20423343 0.87 USP2 (0.46) USP2SMN1; SMN2CYP4F2CYP4A11MMP2
SCHEMBL15437355 0.86 PKM (0.48) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL5767027 0.84 CYP4F2 (0.39) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL17444475 0.82 L3MBTL1 (0.43) SMN1; SMN2KDM4ETSHR
SCHEMBL13661298 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTSHRALOX15
SCHEMBL965651 0.82 USP2 (0.51) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL7303096 0.82 USP2 (0.47) USP2SMN1; SMN2CYP4F2CYP4A11MMP2
SCHEMBL3497712 0.81 PKM (0.45) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL20463311 0.81 USP2 (0.44) USP2SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL5762968 0.81 USP2 (0.44) USP2SMN1; SMN2CYP4F2CYP4A11HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 USP2 4275/4885SMN1; SMN2 1960/4885CYP4F2 3267/4885

“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.