SCHEMBL3582733

SCHEMBL3582733

NC(CC1CCCN1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
LTA4H P09960 3/20 0.42
CYP2D6 P10635 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR6 P50406 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
SCHEMBL20344302 0.84 POLB (0.51) POLBCACNA2D1CACNA1BCACNB1LTA4H
SCHEMBL20832991 0.80 CYP2D6 (0.56) POLBCACNA2D1CACNA1BCACNB1CYP2D6
SCHEMBL8507267 0.80 CYP2D6 (0.56) POLBCACNA2D1CACNA1BCACNB1CYP2D6
SCHEMBL22259900 0.80 CYP2D6 (0.56) POLBCACNA2D1CACNA1BCACNB1CYP2D6
SCHEMBL11447515 0.80 POLB (0.47) POLBCACNA2D1CACNA1BCACNB1LTA4H
SCHEMBL20833013 0.80 CYP2D6 (0.56) POLBCACNA2D1CACNA1BCACNB1CYP2D6
SCHEMBL8493732 0.79 POLB (0.59) POLBCACNA2D1CACNA1BCACNB1LTA4H
SCHEMBL6535642 0.78 CHRNB4 (0.49) POLBLTA4HCHRNB4CHRNA3SLC6A2
SCHEMBL10679403 0.75 CYP2D6 (0.62) POLBCACNA2D1CACNA1BCACNB1CYP2D6
SCHEMBL10681797 0.75 POLB (0.54) POLBCACNA2D1CACNA1BCACNB1LTA4H

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 POLB 210/4885CACNA2D1 3083/4885CACNA1B 3574/4885

“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.