SCHEMBL3095655

SCHEMBL3095655

O=C(c1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCC(C(=O)O)(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A7 Q99884 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HSP90AA1 P07900 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL3099738 0.90 KDM4E (0.53) MEN1KMT2ASLC6A7KDM4ESMN1; SMN2
SCHEMBL7914218 0.82 HSP90AA1 (0.42) MEN1KMT2ASLC6A7KDM4EHSP90AA1
SCHEMBL378380 0.82 SLC6A7 (0.54) MEN1KMT2ASLC6A7MAPK1HSD11B1
SCHEMBL20424845 0.82 KDM4E (0.59) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL7912480 0.80 MEN1 (0.45) MEN1KMT2ASLC6A7KDM4EHSP90AA1
SCHEMBL13092248 0.80 MEN1 (0.45) MEN1KMT2ASLC6A7KDM4EHSP90AA1
SCHEMBL20439648 0.79 KDM4E (0.56) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL13092255 0.79 KMT2A (0.40) MEN1KMT2ASLC6A7KDM4EHSP90AA1
SCHEMBL13102875 0.79 KMT2A (0.40) MEN1KMT2ASLC6A7KDM4EHSP90AA1
SCHEMBL378652 0.78 AKR1C3 (0.59) MEN1KMT2ASLC6A7KDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US claimed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US 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 MEN1 4869/4885KMT2A 1488/4885SLC6A7 105/4885

“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.