SCHEMBL2693371

SCHEMBL2693371

CCCN(CCC)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.43
DRD2 P14416 8/20 0.43
DRD4 P21917 3/20 0.43
HTR1A P08908 1/20 0.39
FYN P06241 3/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1793781 1.00 DRD3 (0.43) DRD3DRD2DRD4HTR1AFYN
SCHEMBL1793783 1.00 DRD3 (0.43) DRD3DRD2DRD4HTR1AFYN
SCHEMBL3376550 0.87 DRD3 (0.50) DRD3DRD2DRD4HTR1AFYN
SCHEMBL6680792 0.86 GNAI3 (0.37) DRD3DRD2DRD4HTR1A
SCHEMBL14958732 0.84 DRD2 (0.38) DRD3DRD2DRD4
SCHEMBL11807764 0.83 ADH1C (0.47) DRD3DRD2
SCHEMBL24220857 0.80
SCHEMBL3490832 0.80
SCHEMBL15865807 0.79 DRD3 (0.48) DRD3DRD2DRD4HTR1AFYN
SCHEMBL3273602 0.79 DRD2 (0.36) DRD3DRD2DRD4

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
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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 (2 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 DRD3 1759/4885DRD2 1830/4885DRD4 2317/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 DRD3 2028/4885DRD2 1854/4885DRD4 2803/4885

“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.