SCHEMBL6997795

SCHEMBL6997795

O=C(c1ccc(F)cc1F)C1CCN(CCCN2CC3(OCCO3)c3ccccc3S2(=O)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR2A P28223 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL6996894 0.79 HTR2A (0.44) KCNH2CYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL6990075 0.79 HTR2A (0.44) KCNH2CYP3A4CYP2D6KDM4ECYP1A2
SCHEMBL6994274 0.77 DRD2 (0.46) CYP3A4CYP2D6KDM4ECYP1A2HTR2A
SCHEMBL6996001 0.77 HTR7 (0.49) KCNH2KDM4EHTR2ALMNAMAPK1
SCHEMBL6996785 0.77 ACHE (0.53) HTR2A
SCHEMBL6995219 0.77 DRD2 (0.45) CYP3A4CYP2D6KDM4ECYP1A2HTR2A
SCHEMBL6991441 0.77 SIGMAR1 (0.44) CYP3A4CYP2D6CYP1A2KMT2AMEN1
SCHEMBL6996279 0.77 HTR7 (0.45) KCNH2HTR2A
SCHEMBL6998101 0.76 ADRA1D (0.39) HTR2A
SCHEMBL6998180 0.75 HTR7 (0.47) KCNH2HTR2A

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-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
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 KCNH2 79/4885CYP3A4 1424/4885CYP2D6 705/4885

“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.