SCHEMBL10035595

SCHEMBL10035595

COc1ccc(S(=O)(=O)NCCCN2CCc3cc(OC)c(OC)cc3C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.64
HTR7 P34969 7/20 0.60
HTR1A P08908 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55

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 SCHEMBL2141854 0.99 ABCB1 (0.63) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL8983540 0.97 ABCB1 (0.61) ABCB1HTR7HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL4221512 0.96 ABCB1 (0.60) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL2138032 0.92 HTR7 (0.57) ABCB1HTR7
SCHEMBL10035624 0.92 MBTD1 (0.59) ABCB1HTR7HTR1AHTR2AALDH1A1
SCHEMBL10035597 0.91 ABCB1 (0.56) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL10035620 0.91 HTR7 (0.61) ABCB1HTR7HTR1AHTR2AHTR2C
SCHEMBL10035581 0.91 ABCB1 (0.56) ABCB1HTR7HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL2138894 0.91 MBTD1 (0.58) ABCB1HTR7HTR1AHTR2AALDH1A1
SCHEMBL10035558 0.91 HTR7 (0.56) ABCB1HTR7HTR2AHTR2CKMT2A

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-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 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 (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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 551/4885HTR7 1/4885HTR1A 2/4885

“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.