SCHEMBL7914218

SCHEMBL7914218

C[C@H](NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(N3CCS(=O)(=O)CC3)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A7 Q99884 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
PANK3 Q9H999 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 2/20 0.38
NAMPT P43490 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL13092248 0.96 MEN1 (0.45) HSP90AA1ALDH1A1MEN1KMT2ASLC6A7
SCHEMBL7907440 0.89 TSHR (0.44) ALDH1A1SMN1; SMN2KDM4EHTTTSHR
SCHEMBL7910561 0.87 ALDH1A1 (0.46) HSP90AA1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13092254 0.85 KIT (0.44) ALDH1A1MEN1KMT2ASLC6A7LMNA
SCHEMBL13102875 0.85 KMT2A (0.40) HSP90AA1ALDH1A1MEN1KMT2ASLC6A7
SCHEMBL13092255 0.85 KMT2A (0.40) HSP90AA1ALDH1A1MEN1KMT2ASLC6A7
SCHEMBL7908737 0.83 PANK3 (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL3095655 0.82 MEN1 (0.51) HSP90AA1ALDH1A1MEN1KMT2ASLC6A7
SCHEMBL7909991 0.81 HPGD (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL378834 0.81 TACR1 (0.48) MEN1KMT2ASLC6A7TSHRHSD11B1

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 5 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-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

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 HSP90AA1 1075/4885ALDH1A1 480/4885MEN1 4869/4885

“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.