SCHEMBL8979733

SCHEMBL8979733

O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 1.00
HTR6 P50406 4/20 0.61
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPY5R Q15761 1/20 0.53
CCR1 P32246 1/20 0.52

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
SCHEMBL8982867 0.99 HTR7 (0.98) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8980005 0.99 HTR7 (0.98) HTR7HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL5403091 0.98 HTR7 (0.96) HTR7HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL5403115 0.98 HTR7 (0.96) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL10035549 0.97 HTR7 (0.94) HTR7HTR6HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL2138966 0.96 HTR7 (0.92) HTR7HTR6HTR1ADRD2SCN1A
SCHEMBL8979712 0.89 HTR7 (0.80) HTR7HTR6HTR1ADRD2HTR2A
SCHEMBL8983375 0.86 HTR7 (0.75) HTR7HTR6HTR1ADRD2CYP3A4
Hydrochloric Acid SCHEMBL5406381 0.85 HTR7 (0.74) HTR7HTR6HTR1ADRD2CYP3A4
SCHEMBL8983277 0.85 HTR7 (0.74) HTR7HTR6HTR1ADRD2HTR2A

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 1/4885HTR6 7/4885HTR1A 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.