Sugi Predict

Sugi Predict / Compounds / SCHEMBL3106971

SCHEMBL3106971

SCHEMBL3106971

O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NNc2ccc(F)c(F)c2)(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ HSD11B1 P28845 2/20 0.42
▸ HDAC1 Q13547 2/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ SLC6A7 Q99884 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ FASN P49327 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PRKAA2 P54646 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ NAMPT P43490 2/20 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
SCHEMBL3107003 0.92 PTPN1 (0.50) PTPN1HSD11B1HDAC1EPHX2SLC6A7
SCHEMBL3110203 0.89 HSP90AA1 (0.47) PTPN1HSD11B1HDAC1EPHX2FASN
SCHEMBL3227686 0.88 CYP3A4 (0.48) PTPN1SLC6A7MEN1KMT2ATSHR
SCHEMBL7900928 0.87 PTPN1 (0.46) PTPN1HSD11B1HDAC1EPHX2SLC6A7
SCHEMBL7907727 0.86 SLC6A7 (0.50) PTPN1HSD11B1SLC6A7MEN1KMT2A
SCHEMBL13102505 0.85 HDAC1 (0.43) PTPN1HSD11B1HDAC1SLC6A7MEN1
SCHEMBL3092523 0.83 CYP3A4 (0.51) SLC6A7MEN1KMT2ATSHRPRKAA2
SCHEMBL3092692 0.81 FASN (0.48) PTPN1HSD11B1HDAC1SLC6A7MEN1
SCHEMBL13092423 0.78 SLC6A7 (0.50) HSD11B1SLC6A7MEN1KMT2ATSHR
SCHEMBL3106977 0.77 HSD11B1 (0.42) PTPN1HSD11B1HDAC1SLC6A7MEN1

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 7 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-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
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 PTPN1 1883/4885HSD11B1 3638/4885HDAC1 1713/4885

“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.