SCHEMBL15948859

SCHEMBL15948859

c1c[nH]c(CN(CCN(Cc2ncc[nH]2)Cc2ncc[nH]2)Cc2ncc[nH]2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.52
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ALOX15 P16050 1/20 0.47
TERT O14746 1/20 0.42
BCHE P06276 1/20 0.41
FDPS P14324 1/20 0.40
HTR1A P08908 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPT P10636 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL370577 0.93 TAAR1 (0.53) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL1331599 0.90 TAAR1 (0.54) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL8820632 0.89 TAAR1 (0.47) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL825460 0.88 TAAR1 (0.51) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL16243873 0.88 TAAR1 (0.44) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL1974427 0.87 TAAR1 (0.46) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL16243647 0.85 TBXAS1 (0.49) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL27938415 0.85 TAAR1 (0.57) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL11936762 0.85 TAAR1 (0.57) TAAR1CYP2D6TSHRSMN1; SMN2LMNA
SCHEMBL1331585 0.82 TAAR1 (0.47) TAAR1CYP2D6TSHRSMN1; SMN2LMNA

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-20140228407-A1 TETRA-PYRIDINE COMPOUNDS AND COMPOSITION FOR PROTECTING CELLS, TISSUES AND ORGANS AGAINST ISCHEMIA-REPERFUSION INJURY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY, LTD. (IL) 2014-08-14 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-20140228407-A1 TETRA-PYRIDINE COMPOUNDS AND COMPOSITION FOR PROTECTING CELLS, TISSUES AND ORGANS AGAINST ISCHEMIA-REPERFUSION INJURY TNNI3, TXN2, PRDX5 TAAR1 2022/4885CYP2D6 2879/4885TSHR 2918/4885

“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.