SCHEMBL4225549

SCHEMBL4225549

O=C(O)CCCn1ccnc1CN(Cc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1)Cc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.44
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
CYP3A4 P08684 6/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 4/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4233793 0.96 CXCR4 (0.45) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL4237781 0.92 CXCR4 (0.44) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL2626916 0.92 CXCR4 (0.45) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL4531719 0.91 CXCR4 (0.39) CXCR4KMT2AALDH1A1MEN1HRH3
SCHEMBL4230314 0.91 CXCR4 (0.43) CXCR4KMT2AKDM4EMEN1HRH3
SCHEMBL4229078 0.90 CXCR4 (0.46) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL2694515 0.90 CXCR4 (0.44) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL4225603 0.90 CXCR4 (0.42) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL4069741 0.90 CXCR4 (0.40) CXCR4KMT2AALDH1A1KDM4EMEN1
SCHEMBL4075050 0.89 CXCR4 (0.39) CXCR4KMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
EP-2042503-B1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-01-30 EP disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP 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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 CXCR4 1/4885KMT2A 4124/4885ALDH1A1 274/4885

“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.