SCHEMBL21035441

SCHEMBL21035441

Cc1ccc2nc3cc(N4CCC4)ccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
MAPT P10636 8/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 4/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 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
SCHEMBL18867172 0.84 MAPT (0.41) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL22986624 0.83 IKBKB (0.42) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL18838775 0.83 IKBKB (0.40) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL18838764 0.83 IKBKB (0.40) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL20515380 0.83 IKBKB (0.40) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL22986638 0.80 IKBKB (0.38) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL21035280 0.76 MAPT (0.37) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL18838772 0.75 IKBKB (0.47) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL18838768 0.74 CYP2D6 (0.40) IKBKBMAPTGAAALDH1A1LMNA
SCHEMBL31031239 0.73 CYP2D6 (0.44) IKBKBMAPTGAAALDH1A1LMNA

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-10301308-B2 Azetidine derivatives for tau imaging ELI LILLY AND COMPANY (US) 2019-05-28 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-10301308-B2 Azetidine derivatives for tau imaging MAPT, PSEN2, PSEN1 IKBKB 1915/4885MAPT 1/4885GAA 184/4885

“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.