Sugi Predict

Sugi Predict / Compounds / SCHEMBL6398564

SCHEMBL6398564

SCHEMBL6398564

O=C(OCc1ccccc1)N1CCC(F)(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALML3 P27482 6/20 0.51
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD1 P21728 1/20 0.39

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
SCHEMBL6398565 1.00 CALML3 (0.51) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL6397485 0.88 CALML3 (0.39) CALML3MAOAMAOBKDM1AGRM2
SCHEMBL6397482 0.88 CALML3 (0.39) CALML3MAOAMAOBKDM1AGRM2
SCHEMBL6399601 0.86 CALML3 (0.49) CALML3MAOAMAOBCYP2C19GRM2
SCHEMBL27372015 0.86 CALML3 (0.49) CALML3MAOAMAOBCYP2C19GRM2
SCHEMBL541127 0.85 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL541126 0.85 CALML3 (0.47) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1498683 0.84 MAOB (0.53) CALML3MAOAMAOBNPSR1NPC1
SCHEMBL5327254 0.84 MAOB (0.53) CALML3MAOAMAOBNPSR1NPC1
SCHEMBL709604 0.82 CALML3 (0.46) CALML3MAOAMAOBCYP2C19CYP2C9

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-20050054683-A1 Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings HUTCHINSON DOUGLAS K (US) 2005-03-10 — — US disclosed
US-6358942-B1 MICROBIOCIDES AND BACTERICIDES FOR TREATING GRAMPOSITIVE, BACTEROIDES, CLOSTRIDIUM, MYCOBACTERIUM, STAPHYLOCOCCUS AND STREPTOCOCCUS INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-03-19 — — US disclosed
EP-0856002-B1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS UPJOHN CO (US) 2001-10-24 — — EP disclosed
US-6166056-A Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings PHARMACIA (US) 2000-12-26 — — US disclosed
US-6051716-A ANTIMICROBIAL AGENTS PHARMACIA & UPJOHN, INC. (US) 2000-04-18 — — US disclosed
US-6043266-A MICROBIOCIDES TREATING GRAM-POSITIVE BACTERIA INFECTIONS AND PERSONS WITH AIDS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 — — US disclosed
US-5968962-A ANTIMICROBIAL AGENTS; EFFECTIVE AGAINST GRAMPOSITIVE BACTERIA PHARMACIA & UPJOHN COMPANY (US) 1999-10-19 — — 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-20050054683-A1 Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings CBR1, NCOR1, RCOR1 CALML3 3240/4885MAOA 2948/4885MAOB 2473/4885

“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.