SCHEMBL13482177

SCHEMBL13482177

O=C1CC2c3c(cccc31)CCN2CCCNS(=O)(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.41
HTR7 P34969 2/20 0.41
PKM P14618 5/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
PKLR P30613 4/20 0.39
CYP19A1 P11511 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
RGS12 O14924 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
TH P07101 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
Hydrochloric Acid SCHEMBL2305940 0.99 HTR1A (0.40) HTR1AHTR7PKMDRD2DRD1
SCHEMBL13482065 0.88 PKM (0.44) HTR7PKMPKLRCYP19A1F2
Hydrochloric Acid SCHEMBL2310674 0.87 PKM (0.43) HTR7PKMPKLRCYP19A1F2
SCHEMBL13482097 0.85 PKM (0.44) HTR7PKMPKLRCYP19A1F2
Hydrochloric Acid SCHEMBL3191007 0.84 PKM (0.43) HTR7PKMPKLRCYP19A1F2
SCHEMBL13482251 0.77 CCR1 (0.43) HTR1AHTR7DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL2307407 0.76 CCR1 (0.42) HTR1AHTR7DRD2DRD1DRD4
SCHEMBL13482174 0.75 HTR1A (0.43) HTR1AHTR7DRD2DRD1DRD3
Hydrochloric Acid SCHEMBL2311081 0.75 HTR1A (0.43) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL13482267 0.74 HTR7 (0.43) HTR1AHTR7DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 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-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2B HTR1A 2/4885HTR7 1/4885PKM 4490/4885
US-20090036480-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR2B HTR1A 2/4885HTR7 1/4885PKM 4507/4885

“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.