SCHEMBL2224692

SCHEMBL2224692

C[C@@H]1CCC[C@H](C)N1CCC1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
WDR5 P61964 1/20 0.52
CXCR3 P49682 9/20 0.51
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDH2 P48735 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL2226227 0.90 KMT2A (0.52) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2221639 0.87 KMT2A (0.60) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2273206 0.86 CXCR3 (0.68) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2223692 0.85 KMT2A (0.56) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2267054 0.85 WDR5 (0.56) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2221531 0.84 KMT2A (0.55) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2221695 0.84 KMT2A (0.51) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2224401 0.82 TDP1 (0.57) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2222665 0.82 MEN1 (0.56) KMT2AMEN1LMNAMAPTTDP1
SCHEMBL2221592 0.81 KMT2A (0.52) KMT2AMEN1LMNAMAPTTDP1

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-20130029971-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US claimed
WO-2011084985-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 WO claimed
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

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 KMT2A 3936/4885MEN1 3640/4885LMNA 3445/4885

“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.