SCHEMBL3555352

SCHEMBL3555352

Brc1ccc(CC2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
RORC P51449 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
POLB P06746 1/20 0.43
CCR3 P51677 1/20 0.43
TACR1 P25103 1/20 0.43
IGF1R P08069 1/20 0.42

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
SCHEMBL3555350 1.00 LTA4H (0.57) LTA4HBCHEACHEBACE1RORC
SCHEMBL4468839 1.00 LTA4H (0.57) LTA4HBCHEACHEBACE1RORC
SCHEMBL4470322 1.00 LTA4H (0.57) LTA4HBCHEACHEBACE1RORC
SCHEMBL4468845 1.00 LTA4H (0.57) LTA4HBCHEACHEBACE1RORC
SCHEMBL24350 0.92 LTA4H (0.61) LTA4HBCHEACHEBACE1SIGMAR1
SCHEMBL3491795 0.92 LTA4H (0.61) LTA4HBCHEACHEBACE1SIGMAR1
SCHEMBL18325 0.92 LTA4H (0.61) LTA4HBCHEACHEBACE1SIGMAR1
SCHEMBL6099454 0.88 LTA4H (0.58) LTA4HBCHEACHEBACE1SIGMAR1
SCHEMBL5361052 0.88 LTA4H (0.58) LTA4HBCHEACHEBACE1SIGMAR1
SCHEMBL4290430 0.88 LTA4H (0.58) LTA4HSIGMAR1ALDH1A1POLBCCR3

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A LTA4H 1361/4885BCHE 2196/4885ACHE 746/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B LTA4H 1311/4885BCHE 2329/4885ACHE 680/4885

“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.