SCHEMBL6502613

SCHEMBL6502613

COc1cccc2c1CCC(CN1CCC(c3ccccc3)CC1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
HTR7 P34969 1/20 0.50
HTR2C P28335 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR1A P08908 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CCR5 P51681 1/20 0.46

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
SCHEMBL6076000 0.84 HTR7 (0.68) HTR7HTR2CSIGMAR1HTR1ACCR5
Hydrochloric Acid SCHEMBL6490470 0.83 HTR7 (0.67) HTR7HTR2CSIGMAR1HTR1ACCR5
SCHEMBL6491735 0.82 CCR5 (0.42) HTR7SIGMAR1HTR1ACCR5
SCHEMBL6492064 0.81 SIGMAR1 (0.70) CYP19A1HTR2CSIGMAR1HTR1A
SCHEMBL11737760 0.81 CYP19A1 (0.52) CYP19A1HTR2CSIGMAR1HTR1AKDM4E
SCHEMBL6502043 0.80 CYP24A1 (0.60) CYP19A1HTR2CSIGMAR1HTR1A
SCHEMBL8202330 0.77 HTT (0.47) CYP19A1HTR7HTR2CSIGMAR1LMNA
SCHEMBL15700133 0.76 CYP19A1 (0.67) CYP19A1HTR2CKDM4ELMNAPOLB
SCHEMBL6489774 0.76 HTR7 (0.43) CYP19A1HTR7SIGMAR1KDM4ELMNA
SCHEMBL8199643 0.75 CCR5 (0.48) HTR7HTR2CSIGMAR1CCR5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US claimed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US claimed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP claimed
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO disclosed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US 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 (2 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 CYP19A1 3291/4885HTR7 1189/4885HTR2C 841/4885
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A CYP19A1 809/4885HTR7 3510/4885HTR2C 3358/4885

“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.