Sugi Predict

Sugi Predict / Compounds / SCHEMBL3856952

SCHEMBL3856952

SCHEMBL3856952

CC(CCN1CCCN(S(C)(=O)=O)CC1)(C(=O)NCc1ccc(C(F)(F)F)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CCR2 P41597 4/20 0.38
▸ TACR3 P29371 3/20 0.38
▸ TACR2 P21452 2/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ PIK3CD O00329 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
SCHEMBL8107207 0.95 NAMPT (0.44) NAMPTALDH1A1KDM4ECCR2POLB
SCHEMBL3638284 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ECCR2TACR3TACR2
SCHEMBL3668310 0.88 ENPP2 (0.43) ALDH1A1KDM4ECCR2TACR3TACR2
SCHEMBL3864938 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ECCR2TACR3TACR2
SCHEMBL3637285 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ETACR3TACR2TACR1
SCHEMBL3642568 0.86 TACR3 (0.40) ALDH1A1KDM4ECCR2TACR3TACR2
SCHEMBL3862785 0.86 TACR3 (0.52) NAMPTALDH1A1KDM4ECCR2TACR3
SCHEMBL3864203 0.86 HSD11B1 (0.40) NAMPTTACR3TACR2TACR1PTGES
SCHEMBL3865395 0.86 HSD11B1 (0.40) NAMPTTACR3TACR2TACR1PTGES
SCHEMBL3864198 0.86 HSD11B1 (0.40) NAMPTTACR3TACR2TACR1PTGES

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 NAMPT 4008/4885ALDH1A1 449/4885KDM4E 2657/4885

“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.