SCHEMBL20161341

SCHEMBL20161341

CCCCN(CCCC)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 6/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CNR2 P34972 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL6282799 0.92 CNR2 (0.46) CNR2HTR2A
SCHEMBL6279824 0.89 CNR2 (0.43) CNR2HTR2A
SCHEMBL20161128 0.88 S1PR1 (0.43) EGFRERBB2CNR2HRH3PSIP1
SCHEMBL7153351 0.85 EGFR (0.50) MAPTNR1H2NR1H3EGFRERBB2
SCHEMBL11803623 0.83 NR1H2 (0.44) MAPTNR1H2NR1H3EGFRERBB2
SCHEMBL2491668 0.83 ALDH1A1 (0.48) MAPTNR1H2NR1H3EGFRERBB2
SCHEMBL7932826 0.82 CA2 (0.47) MAPTEGFRERBB2CHRM2CHRM5
SCHEMBL768272 0.81 EGFR (0.47) MAPTNR1H2NR1H3EGFRERBB2
SCHEMBL2014159 0.81 EGFR (0.47) MAPTNR1H2NR1H3EGFRERBB2
SCHEMBL17663681 0.81 EGFR (0.47) MAPTNR1H2NR1H3EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 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-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R MAPT 2871/4885NR1H2 143/4885NR1H3 95/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R MAPT 2871/4885NR1H2 143/4885NR1H3 95/4885

“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.