SCHEMBL8983206

SCHEMBL8983206

COc1cc(C)ccc1S(=O)(=O)NCCCCN1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.61
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR6 P50406 2/20 0.53
ATM Q13315 2/20 0.53
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50

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 SCHEMBL4223351 0.99 HTR7 (0.60) HTR7MEN1KMT2AHTR6ATM
SCHEMBL8983530 0.91 SIGMAR1 (0.62) HTR7TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL4218457 0.90 SIGMAR1 (0.61) HTR7TMEM97SIGMAR1
SCHEMBL2137747 0.88 SIGMAR1 (0.58) HTR7TMEM97SIGMAR1
SCHEMBL8979909 0.88 HTR7 (0.65) HTR7MEN1KMT2AHTR6ATM
Hydrochloric Acid SCHEMBL6086174 0.87 SIGMAR1 (0.57) HTR7TMEM97SIGMAR1
SCHEMBL8980041 0.87 HTR7 (0.64) HTR7MEN1KMT2AHTR6ATM
Hydrochloric Acid SCHEMBL4232155 0.87 HTR7 (0.64) HTR7MEN1KMT2AHTR6ATM
Hydrochloric Acid SCHEMBL4233165 0.86 HTR7 (0.63) HTR7MEN1KMT2AHTR6ATM
SCHEMBL10035545 0.85 HTR7 (0.65) HTR7MEN1KMT2AHTR6ATM

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-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885MEN1 1107/4885KMT2A 2422/4885

“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.