SCHEMBL3106977

SCHEMBL3106977

O=C(NNOC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A7 Q99884 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
USP2 O75604 4/20 0.39
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PTPN1 P18031 1/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
GPR183 P32249 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 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
SCHEMBL3107008 0.92 SLC6A7 (0.45) HSD11B1MEN1KMT2ASLC6A7HDAC3
SCHEMBL3227694 0.90 CYP3A4 (0.50) MEN1KMT2AUSP2CYP3A4SMN1; SMN2
SCHEMBL3110208 0.89 HSP90AA1 (0.47) HSD11B1MEN1KMT2ASLC6A7HDAC3
SCHEMBL3092530 0.85 CYP3A4 (0.46) SLC6A7USP2CYP3A4SMN1; SMN2MAPK1
SCHEMBL3092695 0.84 FASN (0.44) HSD11B1MEN1KMT2ASLC6A7HDAC3
SCHEMBL3106971 0.77 PTPN1 (0.45) HSD11B1MEN1KMT2ASLC6A7HDAC3
SCHEMBL379371 0.74 OPRM1 (0.67) MEN1KMT2ASLC6A7HTTOPRM1
SCHEMBL378380 0.74 SLC6A7 (0.54) HSD11B1MEN1KMT2ASLC6A7CYP3A4
SCHEMBL3107003 0.72 PTPN1 (0.50) HSD11B1MEN1KMT2ASLC6A7HDAC1
SCHEMBL7909257 0.71 PTPN1 (0.46) HSD11B1MEN1KMT2ASLC6A7HDAC3

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 2 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-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 HSD11B1 3638/4885MEN1 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.