SCHEMBL6398643

SCHEMBL6398643

CC(=O)NC[C@H]1CN(c2ccc(C3(F)CCNCC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.61
MAOB P27338 3/20 0.61
PTGS1 P23219 2/20 0.61
SDHA P31040 2/20 0.61
CALML3 P27482 2/20 0.61
LMNA P02545 1/20 0.61
F10 P00742 4/20 0.52

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
SCHEMBL6398648 1.00 MAOA (0.61) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6398297 0.87 MAOA (0.60) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6398305 0.87 MAOA (0.60) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6397947 0.86 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6397944 0.86 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6607693 0.85 MAOA (0.64) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6606129 0.85 MAOA (0.63) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6607438 0.85 MAOA (0.63) MAOAMAOBPTGS1SDHACALML3
SCHEMBL20990392 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6606048 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHACALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 US disclosed
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
US-6313307-B1 DEBLOCKING, DEPROTECTING; CATALYTIC HYDROGENATION, ALKYLATION; PREPARING MICROBIOCIDES AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, MYCOBACTERIUM, AND CLOSTRIDIUM PHARMACIA & UPJOHN COMPANY 2001-11-06 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 (2 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-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 MAOA 2909/4885MAOB 2016/4885PTGS1 2151/4885
US-20050054683-A1 Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings CBR1, NCOR1, RCOR1 MAOA 2948/4885MAOB 2473/4885PTGS1 225/4885

“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.