SCHEMBL4073933

SCHEMBL4073933

CC(C)CN1CCC2(CC1)CCN(Cc1ccc(Cn3ccnc3CN(C)Cc3ncc[nH]3)cc1)C2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.60
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
CYP2D6 P10635 7/20 0.32
CYP3A4 P08684 5/20 0.32
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4068400 0.89 CXCR4 (0.49) CXCR4KDM1AMAOBRCOR1CYP2D6
SCHEMBL4070793 0.88 CXCR4 (0.54) CXCR4CYP2D6CYP3A4ALDH1A1TAAR1
SCHEMBL4075810 0.88 CXCR4 (0.59) CXCR4CYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL4067735 0.87 CXCR4 (0.52) CXCR4CYP2D6CYP3A4ALDH1A1TAAR1
SCHEMBL4069468 0.87 CXCR4 (0.52) CXCR4CYP2D6CYP3A4ALDH1A1TAAR1
SCHEMBL2694625 0.83 CXCR4 (0.80) CXCR4KDM1AMAOBRCOR1CYP2D6
SCHEMBL4073706 0.82 CXCR4 (0.51) CXCR4CYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL4072232 0.81 CXCR4 (0.52) CXCR4CYP2D6CYP3A4ALDH1A1CYP1A2
SCHEMBL4233758 0.80 CXCR4 (0.59) CXCR4KDM1AMAOBRCOR1CYP2D6
SCHEMBL4073802 0.80 CXCR4 (0.51) CXCR4CYP2D6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CXCR4 1/4885KDM1A 4700/4885MAOB 3403/4885

“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.