SCHEMBL14029804

SCHEMBL14029804

CN(CCCCN)Cc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.47
CHRM2 P08172 1/20 0.44
CXCR4 P61073 3/20 0.43
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL825300 0.84 TAAR1 (0.58) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL17887890 0.83 CXCR4 (0.48) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL274490 0.82 TAAR1 (0.59) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL14968968 0.81 TAAR1 (0.49) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL14968969 0.81 TAAR1 (0.49) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL14004804 0.80 CXCR4 (0.48) TAAR1CHRM2CXCR4CYP2D6TSHR
SCHEMBL12807569 0.79 TAAR1 (0.53) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL28211846 0.79 TAAR1 (0.46) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL825460 0.77 TAAR1 (0.51) TAAR1CXCR4CYP2D6CYP3A4HRH1
SCHEMBL12193521 0.77 TAAR1 (0.56) TAAR1CXCR4CYP2D6CYP3A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 TAAR1 1220/4885CHRM2 1822/4885CXCR4 3/4885

“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.