SCHEMBL6995219

SCHEMBL6995219

COc1ccc2c(c1)S(=O)(=O)N(CCCN1CCC(C(=O)c3ccc(F)cc3)CC1)CC21OCCO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
HSD11B1 P28845 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC18A3 Q16572 4/20 0.41

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
SCHEMBL6994274 0.94 DRD2 (0.46) DRD2HTR2AHTR2CHSD11B1ALDH1A1
SCHEMBL6990075 0.88 HTR2A (0.44) HTR2AHTR2CHSD11B1KDM4ECYP1A2
SCHEMBL6992899 0.84 CYP2D6 (0.47) HTR2AHTR2CHSD11B1LMNAKMT2A
SCHEMBL6996894 0.84 HTR2A (0.44) HTR2AHTR2CHSD11B1KDM4ECYP1A2
SCHEMBL6996027 0.84 HTR7 (0.44) DRD2HTR2AHTR2CLMNA
SCHEMBL6996872 0.78 HTR1A (0.45) DRD2HTR2AHTR2CALDH1A1
SCHEMBL6997795 0.77 KCNH2 (0.45) HTR2ALMNAKMT2AKDM4ECYP1A2
SCHEMBL6994217 0.76 KCNH2 (0.33) HTTKMT2ACYP1A2
SCHEMBL8410144 0.75 HSD11B1 (0.46) DRD2HTR2AHTR2CHSD11B1ALDH1A1
SCHEMBL6997075 0.75 CYP2D6 (0.49) HTR2AHTR2CHSD11B1LMNAKMT2A

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 DRD2 402/4885HTR2A 5/4885HTR2C 6/4885

“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.