SCHEMBL4476807

SCHEMBL4476807

Brc1ccc(CN2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
BCHE P06276 2/20 0.60
ACHE P22303 2/20 0.60
BACE1 P56817 2/20 0.60
SLC18A3 Q16572 4/20 0.59
CCR5 P51681 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
CNR2 P34972 1/20 0.50

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
SCHEMBL20148958 0.94 ACHE (0.60) MEN1KMT2ABCHEACHEBACE1
SCHEMBL4485265 0.91 CNR2 (0.60) MEN1KMT2ABCHEACHEBACE1
SCHEMBL22755777 0.89 MEN1 (0.68) MEN1KMT2ABCHEACHEBACE1
SCHEMBL6023725 0.89 MEN1 (0.68) MEN1KMT2ABCHEACHEBACE1
SCHEMBL3598146 0.89 MEN1 (0.68) MEN1KMT2ABCHEACHEBACE1
SCHEMBL6701595 0.86 KMT2A (0.65) MEN1KMT2ABCHEACHEBACE1
SCHEMBL19493714 0.84 SLC18A3 (0.70) MEN1KMT2ABCHEACHEBACE1
SCHEMBL8435485 0.84 SLC18A3 (0.79) SLC18A3SIGMAR1
SCHEMBL4697182 0.83 CNR2 (0.78) MEN1KMT2ABCHEACHEBACE1
SCHEMBL29832299 0.81 TRPV6 (0.64) MEN1KMT2ASLC18A3CCR5SIGMAR1

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 7 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
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

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 MEN1 4355/4885KMT2A 1738/4885BCHE 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.