SCHEMBL5088660

SCHEMBL5088660

O=S(=O)(OC1=CCCc2cc(F)ccc21)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
CYP11B2 P19099 4/20 0.33
SRD5A1 P18405 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
PTGS2 P35354 1/20 0.32
MPO P05164 1/20 0.32
DRD3 P35462 3/20 0.31
HTR1D P28221 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CYP19A1 P11511 4/20 0.31
CYP11B1 P15538 3/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL5379087 0.89 KDM4C (0.39) DRD2SRD5A1KDM4CPTGS2DRD3
SCHEMBL18845471 0.85 METAP1 (0.37) DRD2SRD5A1MPODRD3HTR1D
SCHEMBL19127634 0.84 MPO (0.51) MPO
SCHEMBL30940171 0.84 MPO (0.51) MPO
SCHEMBL5364953 0.83 DRD2 (0.31) DRD2DRD3HTR1D
SCHEMBL29631990 0.82 MPO (0.37) DRD2MPODRD3HTR1DMAOB
SCHEMBL20211920 0.82 MPO (0.37) DRD2MPODRD3HTR1DMAOB
SCHEMBL731090 0.82 AKR1C3 (0.44) DRD2CYP11B2DRD3CYP19A1CYP11B1
SCHEMBL30475404 0.81 DRD2 (0.40) DRD2DRD3HTR1DMAOBCHRM1
SCHEMBL5104747 0.81 DRD2 (0.40) DRD2DRD3HTR1DMAOBCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO disclosed
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
CN-1312148-C Isochroman compounds for treatment of CNS disorders LILLY CO ELI (US) 2007-04-25 CN disclosed
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
CN-1620447-A Isochroman compounds for treatment of cns disorders LILLY CO ELI (US) 2005-05-25 CN disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 WO disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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 (6 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E DRD2 70/4885CYP11B2 464/4885SRD5A1 445/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 DRD2 2/4885CYP11B2 770/4885SRD5A1 948/4885
US-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 DRD2 207/4885CYP11B2 630/4885SRD5A1 1729/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885CYP11B2 770/4885SRD5A1 948/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885CYP11B2 770/4885SRD5A1 948/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 DRD2 1606/4885CYP11B2 64/4885SRD5A1 22/4885

“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.