SCHEMBL29322147

SCHEMBL29322147

CC(C)(I)N1CCCNCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.34
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR2 P41597 1/20 0.31
CXCL12 P48061 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL20750637 0.93 HPGD (0.32) HPGD
SCHEMBL39972 0.83 CXCR4 (0.35) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL22375455 0.79 CXCR4 (0.42) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL92664 0.79 CXCR4 (0.33) CXCR4
SCHEMBL18438842 0.79
SCHEMBL18927564 0.79
SCHEMBL14192115 0.77 CXCR4 (0.35) CXCR4CHRM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL8940566 0.77 ADRB1 (0.31) TDP1SMN1; SMN2
SCHEMBL24130722 0.76 CYP2B6 (0.44)
SCHEMBL14155860 0.76 ALDH1A1 (0.36) CXCR4TDP1SMN1; SMN2ALDH1A1

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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 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-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 CXCR4 227/4885MEN1 3448/4885CHRM2 2158/4885

“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.