SCHEMBL3087329

SCHEMBL3087329

C=C(C)CC1(C(=O)O)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 3/20 0.47
POLB P06746 2/20 0.45
AGTR2 P50052 1/20 0.45
PTGER2 P43116 3/20 0.44
PTGER4 P35408 1/20 0.44
PTGDR Q13258 1/20 0.44
PTPN1 P18031 1/20 0.44
DRD1 P21728 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
NQO2 P16083 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
LTB4R Q15722 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
FASN P49327 1/20 0.42

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
SCHEMBL378670 0.83 POLB (0.54) SLC6A7MEN1KMT2AHSD11B1POLB
SCHEMBL7912451 0.82 POLB (0.43) SLC6A7MEN1KMT2AHSD11B1POLB
SCHEMBL379026 0.81 HSD11B1 (0.51) SLC6A7MEN1KMT2AHSD11B1POLB
SCHEMBL378365 0.81 HSD11B1 (0.53) SLC6A7MEN1KMT2AHSD11B1PTPN1
SCHEMBL378643 0.79 HSD11B1 (0.51) SLC6A7MEN1KMT2AHSD11B1PTPN1
SCHEMBL8160260 0.76 SLC6A7 (0.57) SLC6A7MEN1KMT2AHSD11B1POLB
SCHEMBL2702158 0.76 KMT2A (0.50) SLC6A7MEN1KMT2AHSD11B1MAPK1
SCHEMBL21166248 0.76 SLC6A7 (0.57) SLC6A7MEN1KMT2AHSD11B1POLB
SCHEMBL378380 0.76 SLC6A7 (0.54) SLC6A7MEN1KMT2AHSD11B1PTPN1
SCHEMBL7055664 0.74 CYP2C19 (0.37) AGTR2

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 SLC6A7 105/4885MEN1 4869/4885KMT2A 1488/4885

“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.