SCHEMBL13482143

SCHEMBL13482143

COc1cc2c3c(c1OC)CCC3N(CCCNS(=O)(=O)c1cccc(C)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.41
DRD2 P14416 6/20 0.41
HTR2A P28223 6/20 0.41
HTR6 P50406 6/20 0.41
NPY5R Q15761 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
HTR2C P28335 1/20 0.39
FKBP1A P62942 1/20 0.39

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 SCHEMBL2307103 0.99 HTR7 (0.41) HTR7DRD2HTR2AHTR6NPY5R
SCHEMBL13482115 0.97 HTR7 (0.42) HTR7DRD2HTR2AHTR6NPY5R
Hydrochloric Acid SCHEMBL2308729 0.97 HTR7 (0.41) HTR7DRD2HTR2AHTR6NPY5R
SCHEMBL13482132 0.91 HTR7 (0.45) HTR7DRD2HTR2AHTR6POLB
Hydrochloric Acid SCHEMBL3184930 0.91 HTR7 (0.44) HTR7DRD2HTR2AHTR6POLB
SCHEMBL13482105 0.89 HTR7 (0.46) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL13482244 0.88 HTR1A (0.49) HTR7DRD2HTR2AHTR1AADRA2A
Hydrochloric Acid SCHEMBL2309173 0.88 HTR7 (0.45) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL2309276 0.87 KMT2A (0.40) HTR7HTR6KMT2APOLB
Hydrochloric Acid SCHEMBL2306339 0.87 HTR1A (0.49) HTR7DRD2HTR2AHTR1AADRA2A

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 HTR7 1/4885DRD2 98/4885HTR2A 6/4885
US-20090036480-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR2B HTR7 1/4885DRD2 107/4885HTR2A 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.