SCHEMBL4196839

SCHEMBL4196839

NCc1ccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 9/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
CYP1A2 P05177 2/20 0.40
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
CHKA P35790 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Hydrochloric Acid SCHEMBL4224736 0.99 HRH3 (0.42) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4208363 0.83 KDM1A (0.51) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4228606 0.82 HRH3 (0.49) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4205328 0.81 ALDH1A1 (0.43) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4576616 0.79 HRH3 (0.46) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4236471 0.79 KDM1A (0.50) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4125464 0.75 TSHR (0.54) HRH3MEN1ALDH1A1KMT2ACYP2D6
SCHEMBL2629477 0.75 CYP2D6 (0.57) MEN1ALDH1A1KMT2ACYP2D6CYP3A4
SCHEMBL4213604 0.75 KDM1A (0.35) HRH3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4233451 0.75 CXCR4 (0.43) HRH3KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP 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-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-12-27 US disclosed
US-8318931-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-8293896-B2 2012-10-23 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 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
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 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 (3 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-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 HRH3 314/4885KDM4E 4377/4885MEN1 3160/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 HRH3 185/4885KDM4E 3862/4885MEN1 2513/4885
US-20120328627-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 HRH3 314/4885KDM4E 4377/4885MEN1 3160/4885

“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.