SCHEMBL8724112

SCHEMBL8724112

CCCCN(C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4CC3)c2c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
HTR1B P28222 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30908976 0.92 NOS3 (0.42) HTR1DNOS3NOS1MAPTTP53
SCHEMBL8721234 0.85 HTR1F (0.48) HTR1DHTR1B
SCHEMBL30909285 0.85 HTR1F (0.48) HTR1DHTR1B
SCHEMBL8725954 0.84 NOS3 (0.45) HTR1DNOS3NOS1MAPTTP53
SCHEMBL7486061 0.84 LMNA (0.52) NOS3NOS1MAPTTP53LMNA
SCHEMBL8387008 0.83 NOS3 (0.40) HTR1DNOS3NOS1HTR1B
SCHEMBL8386641 0.80 NOS3 (0.41) HTR1DNOS3NOS1MAPTTP53
SCHEMBL8382055 0.79 NOS3 (0.42) HTR1DNOS3NOS1HTR1B
SCHEMBL8385366 0.78 NOS3 (0.41) HTR1DNOS3NOS1MAPTTP53
SCHEMBL30908959 0.77 HTR1F (0.51) HTR1DHTR1B

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 HTR1D 3/4885NOS3 1678/4885NOS1 1339/4885

“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.