SCHEMBL6997935

SCHEMBL6997935

O=S1(=O)c2ccccc2C2(CN1CCCN1CCN(C(c3ccccc3)c3ccccc3)CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
HTR2A P28223 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL6999266 0.85 DRD2 (0.47) DRD2DRD3HTR2ACYP2D6KCNH2
SCHEMBL6991441 0.82 SIGMAR1 (0.44) DRD2DRD3KMT2AMEN1CYP1A2
SCHEMBL6998668 0.81 HTR1A (0.53) DRD2DRD3HTR2ACYP1A2CYP2D6
SCHEMBL6995810 0.80 DRD2 (0.40) DRD2DRD3HTR2AADRA2CHTR2C
SCHEMBL6994591 0.80 DRD2 (0.51) DRD2DRD3HTR2ASLC6A2SLC6A4
SCHEMBL7001823 0.80 DRD2 (0.50) DRD2DRD3HTR2AKMT2ACYP1A2
SCHEMBL6996001 0.80 HTR7 (0.49) DRD2DRD3HTR2ALMNAADRA2C
SCHEMBL6994735 0.79 HTR1A (0.52) DRD2DRD3HTR2AKCNH2
SCHEMBL6998180 0.78 HTR7 (0.47) DRD2DRD3HTR2AADRA2CHTR2C
SCHEMBL6996410 0.78 LMNA (0.34) LMNAKMT2AALDH1A1MAPT

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-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
US-6316442-B1 TREATMENT OF HEART DISEASE AND CEREBROVASCULAR DISTURBANCES SUNTORY LIMITED (JP) 2001-11-13 US disclosed
US-6001827-A Benzothiazine derivative SUNTORY LIMITED (JP) 1999-12-14 US disclosed
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 EP 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-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 P2RX7 1801/4885DRD2 402/4885DRD3 341/4885

“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.