SCHEMBL4473916

SCHEMBL4473916

Clc1ccc(Cl)c(-c2ccc(CN3CCOCC3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.63
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.59
POLB P06746 1/20 0.59
CYP2A13 Q16696 1/20 0.57
CNR2 P34972 1/20 0.54
MEN1 O00255 3/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL4477687 0.86 CNR2 (0.63) HRH3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4465612 0.86 HRH3 (0.59) HRH3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4488918 0.82 HRH3 (0.67) HRH3MAPTKMT2ASMN1; SMN2ALDH1A1
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.81 HRH3 (0.74) HRH3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5618352 0.79 SMN1; SMN2 (0.71) HRH3KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL26124351 0.79 ALDH1A1 (0.64) HRH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL4477174 0.77 CNR2 (0.80) CNR2
SCHEMBL15467001 0.77 HRH3 (0.87) HRH3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4477181 0.77 CNR2 (0.80) CNR2
SCHEMBL4472255 0.76 KDM4E (0.60) HRH3SMN1; SMN2ALDH1A1LMNAKDM4E

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 HRH3 283/4885MAPT 3519/4885KMT2A 1738/4885

“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.