SCHEMBL8561745

SCHEMBL8561745

CC(C)(C)CC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(C)(C)C)CC3OC(=O)C(=O)OC1CC(NC(C)(C)C)Cc2c1[nH]c1ccc(C(=O)CC(C)(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
HTR1B P28222 2/20 0.36
HTR1D P28221 1/20 0.36
MAPKAPK2 P49137 5/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
Oxalic Acid SCHEMBL8116476 0.76 HTR1B (0.55) HTR1AHTR1BHTR1DKMT2AMEN1
SCHEMBL27314561 0.74 HTR1B (0.42) HTR1AHTR1BHTR1DMAPKAPK2KMT2A
SCHEMBL29242845 0.71 HTR1B (0.56) HTR1AHTR1BHTR1DMAPKAPK2KMT2A
SCHEMBL28009991 0.71 HTR1B (0.56) HTR1AHTR1BHTR1DMAPKAPK2KMT2A
Water SCHEMBL28364070 0.70 HTR1B (0.56) HTR1AHTR1BHTR1DMAPKAPK2KMT2A
SCHEMBL27303286 0.69 MAPT (0.53) HTR1BMAPKAPK2KMT2AMEN1GAA
SCHEMBL6959602 0.69 RAB9A (0.47) GAAMAPTHTTNPSR1KDM4E
SCHEMBL27508953 0.64 SIRT1 (0.49) MAPKAPK2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL27501747 0.64 MPL (0.39) HTR1BKMT2AMEN1KDM4E
SCHEMBL8482638 0.64 GABRA1 (0.45) HTR1AHTR1BHTR1DMAPKAPK2KMT2A

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
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 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 HTR1A 2/4885HTR1B 4/4885HTR1D 3/4885

“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.