SCHEMBL8722116

SCHEMBL8722116

CCCCc1ccc(C(=O)c2ccc3scc(C4CCC5CCCCN5CC4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
MLNR O43193 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.35
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
MGLL Q99685 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
FAAH O00519 1/20 0.33
MTNR1A P48039 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8720762 0.89 HRH3 (0.42) HRH3ESR1ESR2LMNAMAPT
SCHEMBL8721858 0.88 MAPT (0.42) HRH3MLNRDRD2MAPTL3MBTL3
SCHEMBL8724003 0.84 HRH3 (0.47) HRH3ESR1ESR2ADORA1L3MBTL3
SCHEMBL8721944 0.81 HRH3 (0.42) HRH3OPRM1OPRK1LMNAMAPT
SCHEMBL8720774 0.79 L3MBTL3 (0.43) HRH3DRD2L3MBTL3L3MBTL1
Benzoic Acid SCHEMBL8721067 0.78 HRH3 (0.42) HRH3DRD2SLC6A4ADORA1OPRM1
Benzoic Acid SCHEMBL30909250 0.78 HRH3 (0.42) HRH3DRD2SLC6A4ADORA1OPRM1
SCHEMBL8721043 0.78 HRH3 (0.45) HRH3ADORA1OPRM1OPRK1L3MBTL3
SCHEMBL8721240 0.78 HRH3 (0.45) HRH3DRD2SLC6A4OPRM1OPRK1
SCHEMBL8721896 0.78 HRH3 (0.43) HRH3DRD2SLC6A4OPRM1OPRK1

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 HRH3 126/4885MLNR 1073/4885DRD2 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.