Sugi Predict

Sugi Predict / Compounds / SCHEMBL3856975

SCHEMBL3856975

SCHEMBL3856975

CC(CCN1CCCN(S(C)(=O)=O)CC1)(C(=O)NCc1cccc(OC(F)F)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TACR3 P29371 7/20 0.38
▸ PKM P14618 1/20 0.37
▸ TACR1 P25103 6/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL3862394 0.97 FPR3 (0.40) FPR3FPR2ALDH1A1GAATACR3
SCHEMBL3856956 0.93 ALDH1A1 (0.39) ALDH1A1GAATACR3PKML3MBTL1
SCHEMBL3865223 0.89 MAPK14 (0.40) ALDH1A1GAATACR3PKMTACR1
SCHEMBL3862648 0.89 TACR3 (0.40) ALDH1A1TACR3TACR1POLBCYP3A4
SCHEMBL3668310 0.88 ENPP2 (0.43) ALDH1A1GAATACR3TACR1POLB
SCHEMBL3857656 0.86 FPR3 (0.38) FPR3FPR2TACR3PKMTACR1
SCHEMBL3636103 0.86 FPR3 (0.38) FPR3FPR2TACR3PKMTACR1
SCHEMBL3636098 0.86 FPR3 (0.38) FPR3FPR2TACR3PKMTACR1
SCHEMBL3642568 0.85 TACR3 (0.40) ALDH1A1TACR3TACR1POLBCNR2
SCHEMBL297559 0.85 TACR3 (0.42) FPR3FPR2TACR3TACR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — 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-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS DRD3, KCND3, GRIN3A FPR3 593/4885FPR2 2217/4885ALDH1A1 449/4885

“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.