SCHEMBL8101236

SCHEMBL8101236

CCC(Oc1ccccc1)C(=O)Nc1ccc2[nH]c3c(c2c1)CC(NCCc1cccc(I)c1)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
RB1 P06400 1/20 0.37
HTR1A P08908 4/20 0.37
HTR1B P28222 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
OPRM1 P35372 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HTR1D P28221 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1F P30939 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8101244 0.85 LMNA (0.38) LMNAHTTHTR1AHTR1BDRD2
SCHEMBL8101239 0.83 MAPT (0.41) HTTHTR1AHTR1BDRD2DRD4
SCHEMBL30908961 0.83 MAPT (0.41) HTTHTR1AHTR1BDRD2DRD4
Hydrochloric Acid SCHEMBL8110496 0.81 RB1 (0.44) RB1HTR1AHTR1BDRD2DRD4
SCHEMBL8110482 0.77 LMNA (0.45) LMNAHTTHSD17B10HTR1FKDM4E
SCHEMBL7655326 0.74 HTR1F (0.61) SIGMAR1RB1HTR1AHTR1BDRD2
SCHEMBL8114522 0.73 TRPA1 (0.44) LMNARB1HTR1AHTR1BHTR1D
Hydrochloric Acid SCHEMBL7653732 0.73 HTR1F (0.60) SIGMAR1RB1HTR1AHTR1BDRD2
SCHEMBL7664674 0.72 CDK2 (0.47) RB1HTR1AHTR1BDRD2DRD4
SCHEMBL7659496 0.71 HTR1A (0.48) RB1HTR1AHTR1BDRD2DRD4

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 LMNA 4061/4885HTT 131/4885SIGMAR1 1249/4885

“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.