SCHEMBL6997075

SCHEMBL6997075

COc1cccc2c1C(OC)(OC)CN(CCCN1CCC(C(=O)c3ccc(F)cc3)CC1)S2(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2A P28223 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GRM2 Q14416 1/20 0.45
HSD11B1 P28845 2/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45

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
SCHEMBL6992899 0.88 CYP2D6 (0.47) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL6997507 0.87 CYP2D6 (0.49) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7103076 0.83 CYP2D6 (0.52) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7107482 0.83 CYP2D6 (0.51) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL6991952 0.82 HTR7 (0.50) HTR2AKDM4ELMNAKMT2AHTR2C
SCHEMBL6985867 0.82 HTR2A (0.50) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7107452 0.81 CYP2D6 (0.49) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7104889 0.81 CYP2D6 (0.49) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7104893 0.81 CYP2D6 (0.49) CYP2D6CYP2C19HTR2AKDM4ECYP1A2
SCHEMBL7105752 0.81 HTR7 (0.48) HTR2AKMT2AHTR2CHTR7HTR6

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
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP 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-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 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 CYP2D6 705/4885CYP2C19 1202/4885HTR2A 5/4885

“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.