SCHEMBL2224765

SCHEMBL2224765

CCOC(=O)CC1CCN(c2ccc(Cl)cc2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
LGMN Q99538 2/20 0.46
PRMT1 Q99873 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
NR4A1 P22736 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PARP14 Q460N5 1/20 0.41

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
SCHEMBL16449192 0.88 AKR1C3 (0.47) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL25274982 0.86 LGMN (0.46) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL12516600 0.84 ALDH1A1 (0.43) POLBALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3554337 0.83 LGMN (0.65) POLBALDH1A1KDM4EHTTLGMN
SCHEMBL2222640 0.83 MEN1 (0.51) ALDH1A1LGMNPRMT1SMN1; SMN2MAPT
SCHEMBL2221372 0.82 LMNA (0.55) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL23037260 0.79 LGMN (0.41) ALDH1A1LMNALGMNMAPTGAA
SCHEMBL12516601 0.78 CXCR3 (0.53) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL357944 0.77 KDM4E (0.58) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL29977999 0.77 KDM4E (0.58) POLBALDH1A1KDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952004-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO disclosed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 POLB 2932/4885ALDH1A1 1792/4885KDM4E 3941/4885

“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.