SCHEMBL161275

SCHEMBL161275

CC(C)(C)OC(=O)N1CCCN(c2ccc(Cl)cc2N)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.52
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
STS P08842 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
DPP4 P27487 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL4439802 0.95 POLB (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL1902475 0.89 MEN1 (0.63) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL31342680 0.86 MEN1 (0.59) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL955402 0.85 NR1H4 (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL13419744 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL6628461 0.84 MAPT (0.57) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL30208133 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2365793 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL105158 0.83 KDM4E (0.68) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL161334 0.82 LMNA (0.69) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 MEN1 3298/4885KMT2A 3794/4885ALDH1A1 1720/4885

“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.