SCHEMBL3133410

SCHEMBL3133410

Nc1cc(Br)ccc1NCC1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.54
AAK1 Q2M2I8 4/20 0.51
PRKCQ Q04759 3/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
EGFR P00533 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAP2K1 Q02750 1/20 0.36
BRD4 O60885 2/20 0.35

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
SCHEMBL24321820 0.93 AAK1 (0.56) PTGER4AAK1PRKCQIDO1TDO2
SCHEMBL2950591 0.92 AAK1 (0.62) PTGER4AAK1IDO1TDO2
SCHEMBL3997126 0.89 AAK1 (0.46) PTGER4AAK1BRD4
SCHEMBL1519177 0.86 PTGER4 (0.50) PTGER4AAK1PRKCQLIPCLIPG
SCHEMBL26914178 0.81 AAK1 (0.44) PTGER4AAK1MAPT
SCHEMBL24306614 0.81 AAK1 (0.44) PTGER4AAK1MAPT
SCHEMBL9604228 0.79 PTGER4 (0.58) PTGER4LIPCLIPGMAPTBRD4
SCHEMBL28028864 0.79 PTGER4 (0.54) PTGER4LIPCLIPGMAPT
SCHEMBL1528478 0.79 AAK1 (0.51) PTGER4AAK1IDO1TDO2MAPT
SCHEMBL16035266 0.76 PTGER4 (0.41) PTGER4AAK1IDO1TDO2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342199-B1 Sulfonyl compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INT (DE) 2014-02-26 EP disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372874-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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 (3 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-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES TRPV1, CNR2, CNR1 PTGER4 583/4885AAK1 2577/4885PRKCQ 1487/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PTGER4 68/4885AAK1 554/4885PRKCQ 926/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 PTGER4 647/4885AAK1 2677/4885PRKCQ 1722/4885

“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.