SCHEMBL4973167

SCHEMBL4973167

c1ccc(CN(Cc2ccccc2)c2cc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.50
TSHR P16473 4/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL27610862 0.81 TSHR (0.38) HCAR3TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL9057969 0.73 NR3C2 (0.35) HCAR3TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL1799729 0.72 GBA1 (0.39) TSHRCYP2D6LMNASMN1; SMN2CYP2C19
SCHEMBL9057644 0.72 G6PC1 (0.42) LMNASMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL9057974 0.72 G6PC1 (0.42) LMNASMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL11313238 0.71 CTSK (0.49) HCAR3TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL14059430 0.69 HCAR3 (0.42) HCAR3KCNH2TAAR1AOC3
SCHEMBL28590382 0.69 CHRM2 (0.72) TSHRCYP2D6LMNASMN1; SMN2CYP2C19
SCHEMBL28584674 0.69 CHRM2 (0.41) HCAR3TSHRLMNASMN1; SMN2CYP2C19
SCHEMBL28586881 0.69 CTSK (0.44) HCAR3TSHRLMNASMN1; SMN2CYP2C19

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
EP-1745032-B1 CXCR1 and CXCR2 chemokine antagonists MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-7326729-B2 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION (US) 2008-02-05 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 US disclosed
US-20060014794-A1 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION 2006-01-19 US 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-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 HCAR3 166/4885TSHR 1283/4885CYP2D6 2980/4885
US-20060014794-A1 CXCR1 and CXCR2 chemokine antagonists CXCR1, CXCR2, CXCR5 HCAR3 166/4885TSHR 1283/4885CYP2D6 2980/4885

“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.