SCHEMBL2693754

SCHEMBL2693754

CCC(CC)N1CCC2(CCNC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP2C9 P11712 3/20 0.37
USP2 O75604 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KHK P50053 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
Hydrochloric Acid SCHEMBL2126410 0.98 TSHR (0.53) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL21370150 0.86 TSHR (0.38) TSHRCYP2C9USP2ALDH1A1CYP3A4
SCHEMBL20620447 0.84 TSHR (0.49) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL30842436 0.81 TSHR (0.42) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL21216878 0.80 TSHR (0.50) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL9963300 0.79 TSHR (0.46) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL21364233 0.77 TSHR (0.46) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL13284032 0.77 TSHR (0.54) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL19226595 0.77 TSHR (0.43) TSHRCYP2C9USP2CYP2C19ALDH1A1
SCHEMBL20160476 0.76 TSHR (0.34) TSHR

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 6 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
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP 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 TSHR 1616/4885CYP2C9 3446/4885USP2 4876/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 TSHR 750/4885CYP2C9 3490/4885USP2 4840/4885

“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.