SCHEMBL8725987

SCHEMBL8725987

CCCN(CCC)S(=O)(=O)Nc1ccc2sc(C)c(C3CCC4CCCCN4CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.38
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
HTR2A P28223 3/20 0.38
ADRA1B P35368 3/20 0.38
DRD3 P35462 3/20 0.38
HTR2B P41595 3/20 0.38
HTR2C P28335 2/20 0.35
HTR1E P28566 2/20 0.35
HTR1F P30939 2/20 0.35
HTR7 P34969 2/20 0.35
HTR4 Q13639 2/20 0.35
MLNR O43193 1/20 0.35
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
KDM2B Q8NHM5 2/20 0.30

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
SCHEMBL8721281 0.73 HTR6 (0.37) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL8387410 0.69 MLNR (0.36) HTR1ADRD2HTR2ADRD3MLNR
SCHEMBL8723706 0.67 MLNR (0.36) MLNR
SCHEMBL7487112 0.67 OPRM1 (0.43)
SCHEMBL8725944 0.66 HRH3 (0.34) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL30908788 0.66 DRD2 (0.36) DRD2HTR2ADRD3MLNR
SCHEMBL30909193 0.64 CYP2D6 (0.38)
SCHEMBL8721040 0.64 SIGMAR1 (0.35)
SCHEMBL30909219 0.64 SIGMAR1 (0.35)
SCHEMBL5906394 0.62 MAPK1 (0.38) MLNR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D HTR6 16/4885HTR1A 2/4885DRD2 691/4885

“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.