SCHEMBL4236471

SCHEMBL4236471

COC(=O)c1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
MAOB P27338 2/20 0.50
RCOR1 Q9UKL0 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CHKA P35790 1/20 0.47
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 4/20 0.46
MEN1 O00255 3/20 0.46
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CXCR3 P49682 1/20 0.46

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
SCHEMBL4138948 0.90 KDM4E (0.54) KDM1AMAOBKDM4EALDH1A1CHKA
SCHEMBL4208363 0.86 KDM1A (0.51) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4228606 0.83 HRH3 (0.49) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4576616 0.80 HRH3 (0.46) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4196839 0.79 HRH3 (0.42) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4205105 0.79 HRH3 (0.43) KDM1AMAOBRCOR1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL4224736 0.78 HRH3 (0.42) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4205328 0.78 ALDH1A1 (0.43) KDM1AMAOBRCOR1KDM4ECYP2D6
SCHEMBL4125514 0.76 HRH3 (0.51) KDM4ECYP2D6KMT2ANPC1RAB9A
SCHEMBL64210 0.75 CHKA (0.58) KDM4ECYP2D6ALDH1A1CHKAKMT2A

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 KDM1A 4685/4885MAOB 3005/4885RCOR1 977/4885

“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.