SCHEMBL8980868

SCHEMBL8980868

O=S(=O)(NCCCCCCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.64
HTR6 P50406 2/20 0.56
CCR1 P32246 1/20 0.53
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL8980732 1.00 HTR7 (0.64) HTR7HTR6CCR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4229915 0.99 HTR7 (0.63) HTR7HTR6CCR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4230251 0.99 HTR7 (0.63) HTR7HTR6CCR1CYP1A2CYP2D6
SCHEMBL8980595 0.99 HTR7 (0.65) HTR7HTR6CCR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4219557 0.98 HTR7 (0.64) HTR7HTR6CCR1CYP1A2CYP2D6
SCHEMBL8980250 0.92 HTR7 (0.64) HTR7HTR6CCR1CYP1A2CYP2D6
SCHEMBL8982831 0.92 HTR7 (0.64) HTR7HTR6CCR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4217793 0.91 HTR7 (0.63) HTR7HTR6CCR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4227476 0.91 HTR7 (0.63) HTR7HTR6CCR1MEN1KMT2A
SCHEMBL8980238 0.91 HTR7 (0.65) HTR7HTR6CCR1CYP1A2CYP2D6

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 7/4885CCR1 1348/4885

“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.