SCHEMBL8109535

SCHEMBL8109535

CCC(C)NCC1CCc2[nH]c3ccc(NC(=O)c4ccoc4)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK14 Q16539 3/20 0.42
HSPB1 P04792 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.41
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
VPS4B O75351 1/20 0.38
VCP P55072 1/20 0.38
SLC6A4 P31645 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
SCHEMBL8100843 0.86 HTR1F (0.49) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL8109534 0.84 HTR1F (0.53) HTR1FALDH1A1LMNAMAPK14HSPB1
SCHEMBL8116526 0.84 HTR1F (0.51) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL7659562 0.81 HTR1F (0.51) HTR1FALDH1A1LMNAMAPK14HSPB1
SCHEMBL8116663 0.81 JAK2 (0.46) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL8100838 0.81 HTR1F (0.59) HTR1FALDH1A1LMNAMAPK14HSPB1
Acetic Acid SCHEMBL8555874 0.80 ALDH1A1 (0.42) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL7659551 0.79 HTR1F (0.73) HTR1FALDH1A1LMNAMAPK14HSPB1
SCHEMBL8555878 0.78 HTR1F (0.42) HTR1FALDH1A1LMNAKMT2AMEN1
SCHEMBL8116284 0.78 HTR1F (0.42) HTR1FALDH1A1LMNAKMT2AMEN1

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 5 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
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP 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 HTR1F 1/4885ALDH1A1 563/4885LMNA 4061/4885

“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.