SCHEMBL378760

SCHEMBL378760

C[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PTPN1 P18031 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 5/20 0.42
OPRL1 P41146 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A7 Q99884 1/20 0.39

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
SCHEMBL13102753 1.00 EPHX2 (0.46) EPHX2PTPN1POLBMEN1KMT2A
SCHEMBL378776 0.88 TACR3 (0.40) EPHX2MEN1KMT2AMAPK1
SCHEMBL7900374 0.88 EPHX2 (0.38) EPHX2PTPN1POLBMEN1KMT2A
SCHEMBL13092255 0.87 KMT2A (0.40) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL13102875 0.87 KMT2A (0.40) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7914106 0.83 EPHX2 (0.51) EPHX2PTPN1POLBMEN1KMT2A
SCHEMBL13092254 0.83 KIT (0.44) PTPN1POLBMEN1KMT2AALDH1A1
SCHEMBL7908251 0.81 MAPT (0.42) EPHX2PTPN1POLBMEN1KMT2A
SCHEMBL3100091 0.81 KCNH2 (0.56) EPHX2PTPN1POLBMEN1KMT2A
SCHEMBL7908348 0.80 HSD11B1 (0.48) PTPN1POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP claimed
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

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 EPHX2 3464/4885PTPN1 1883/4885POLB 2329/4885

“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.