SCHEMBL6625858

SCHEMBL6625858

CCc1ncc2c3c(ccc2n1)OCC(COS(=O)(=O)c1ccc(C)cc1)O3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CA2 P00918 1/20 0.33
HTR1A P08908 6/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL7238404 0.90 LMNA (0.36) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL6624038 0.90 LMNA (0.36) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5239210 0.85 HTR1A (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5234849 0.85 HTR1A (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL6625268 0.84 LMNA (0.36) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL6625266 0.84 LMNA (0.36) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL4375219 0.84 HTR1A (0.47) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL4372252 0.84 HTR1A (0.47) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL6628114 0.83 LMNA (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL6631935 0.83 LMNA (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6

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-6656947-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-12-02 US claimed
US-20020183341-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinazoline WYETH (US) 2002-12-05 US claimed
EP-1381612-A1 ANTIDEPRESSANT AZA-HETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE Wyeth (US) 2004-01-21 EP disclosed
US-6656947-B2 For therapy of depression, obsessive compulsive disorder, panic attacks, generalized anxiety disorder, social anxiety disorder, sexual dysfunction, eating disorders, obesity, addictive disorders caused by ethanol or cocaine abuse WYETH 2003-12-02 US disclosed
US-20020183341-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinazoline WYETH (US) 2002-12-05 US disclosed
WO-2002088129-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINAZOLINE WYETH (US) 2002-11-07 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 (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-20020183341-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinazoline OPRD1, OPRK1, HTR2C LMNA 4297/4885SMN1; SMN2 3519/4885CYP3A4 763/4885

“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.