SCHEMBL4470301

SCHEMBL4470301

Brc1ccc(CN2CCSC(c3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
RORC P51449 3/20 0.45
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4468732 0.81 CNR2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL4471675 0.78 CNR2 (0.67) ALDH1A1KDM4EBCHEACHEBACE1
SCHEMBL4480715 0.77 CNR2 (0.51) BCHEACHEBACE1SIGMAR1CYP2D6
SCHEMBL4476807 0.77 MEN1 (0.63) BCHEACHEBACE1SIGMAR1MEN1
SCHEMBL4485265 0.74 CNR2 (0.60) ALDH1A1BCHEACHEBACE1HTT
SCHEMBL6640927 0.72 BRD4 (0.48) ALDH1A1LMNAHTTKMT2A
SCHEMBL4472074 0.72 BCHE (0.49) ALDH1A1KDM4EBCHEACHEBACE1
SCHEMBL4480485 0.72 CNR2 (0.72)
SCHEMBL4470459 0.72 CNR2 (0.72)
SCHEMBL31198934 0.71 SIGMAR1 (0.75) ALDH1A1KDM4EHPGDLMNAHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 ALDH1A1 2612/4885KDM4E 2472/4885BCHE 3008/4885

“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.