SCHEMBL8706248

SCHEMBL8706248

CCCCOc1ccc(Sc2ccc3scc(C4CCC5CCCCN5CC4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
FFAR1 O14842 2/20 0.34

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
Heptanoate SCHEMBL8721844 0.90 PLA2G4B (0.36) HRH3CYP2C9CYP3A4CHRM2CHRM1
SCHEMBL8722113 0.88 CHRM2 (0.48) HRH3DRD2SLC6A4CHRM2CHRM1
SCHEMBL8720762 0.86 HRH3 (0.42) HRH3CYP2C9CYP3A4CHRM2
SCHEMBL8721056 0.79 MCHR1 (0.38) HRH3
SCHEMBL8722092 0.78 CYP2D6 (0.35) HRH3DRD2SLC6A4
SCHEMBL8722116 0.74 HRH3 (0.43) HRH3DRD2SLC6A4
SCHEMBL8722104 0.74 HCRTR1 (0.39) HRH3DRD2SLC6A4CHRM2CHRM1
SCHEMBL30909087 0.74 HCRTR1 (0.39) HRH3DRD2SLC6A4CHRM2CHRM1
SCHEMBL8721944 0.73 HRH3 (0.42) HRH3
SCHEMBL8723639 0.72 KDM4E (0.40) HRH3DRD2SLC6A4

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 4 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
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO 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 126/4885CYP2C9 2699/4885CYP3A4 1654/4885

“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.