SCHEMBL8720762

SCHEMBL8720762

CCCCOc1ccc(C(=O)c2ccc3scc(C4CCC5CCCCN5CC4)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 2/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL8722116 0.89 HRH3 (0.43) HRH3ESR1ESR2L3MBTL1LMNA
SCHEMBL8706248 0.86 HRH3 (0.41) HRH3CYP2C9CYP3A4CHRM2
SCHEMBL8721944 0.86 HRH3 (0.42) HRH3ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8724003 0.83 HRH3 (0.47) HRH3ALDH1A1MEN1KMT2ACYP2C9
Heptanoate SCHEMBL8721844 0.82 PLA2G4B (0.36) HRH3CYP2C9CYP3A4THRBCHRM2
SCHEMBL8721056 0.81 MCHR1 (0.38) HRH3KCNH2MAPT
Benzoic Acid SCHEMBL8721067 0.78 HRH3 (0.42) HRH3L3MBTL1
Benzoic Acid SCHEMBL30909250 0.78 HRH3 (0.42) HRH3L3MBTL1
SCHEMBL8721043 0.77 HRH3 (0.45) HRH3L3MBTL1CHRM2CYP2D6
SCHEMBL8721240 0.77 HRH3 (0.45) HRH3L3MBTL1CYP2D6

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 126/4885ALDH1A1 563/4885HPGD 1610/4885

“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.