SCHEMBL7002589

SCHEMBL7002589

COC1CN(CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
CYP2D6 P10635 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47

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
SCHEMBL6995673 0.87 HTR2A (0.58) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7107452 0.87 CYP2D6 (0.49) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7002059 0.82 HTR1A (0.49) HTR2AKDM4EHTR2CHTR7HTR6
SCHEMBL7103124 0.81 CYP2D6 (0.47) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7816988 0.81 HTR2A (0.51) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL6985867 0.81 HTR2A (0.50) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7109505 0.81 CYP2D6 (0.51) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL6995331 0.79 HTR2A (0.56) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7103076 0.79 CYP2D6 (0.52) HTR2ACYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7107482 0.78 CYP2D6 (0.51) HTR2ACYP2D6KDM4ECYP1A2CYP3A4

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 HTR2A 5/4885CYP2D6 705/4885KDM4E 2400/4885

“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.