SCHEMBL23083003

SCHEMBL23083003

CCN(CC)C(C)Cc1c(C)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
CYP3A4 P08684 1/20 0.55
HTR6 P50406 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KRAS P01116 1/20 0.47
NR3C1 P04150 1/20 0.44
AHR P35869 1/20 0.43
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 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
SCHEMBL23083004 0.84 MAPT (0.63) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL15701952 0.84 MAPT (0.63) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL15214047 0.80 MAPT (0.61) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL15281761 0.78 MAPT (0.57) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL15281774 0.78 MAPT (0.57) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL21944642 0.75 MAPT (0.54) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL21944641 0.75 MAPT (0.54) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL669111 0.75 HTT (0.73) MAPTCYP3A4HTR6ALDH1A1HTT
SCHEMBL29543579 0.74 MAPT (0.53) MAPTCYP3A4HTR6ALDH1A1HTT
Cyanide SCHEMBL28914010 0.74 MAPT (0.53) MAPTCYP3A4HTR6ALDH1A1HTT

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-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS, LLC 2021-03-11 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-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF MAPT 148/4885CYP3A4 2427/4885HTR6 2/4885

“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.