SCHEMBL23899583

SCHEMBL23899583

CCCCCC(CCCC)CN1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.40
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
DNM1 Q05193 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22390592 0.94 LMNA (0.43) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL23957178 0.92 LMNA (0.45) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL28887787 0.92 LMNA (0.45) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL24404816 0.92 LMNA (0.45) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL22236667 0.90 LMNA (0.43) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL22236670 0.90 LMNA (0.43) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL3229094 0.90 LMNA (0.43) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL14086800 0.88 SLC6A4 (0.42) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL10290344 0.84 CHRM2 (0.47) OPRM1CHRM2HTR1AADRA2AADORA3
SCHEMBL15417855 0.83 SLC6A4 (0.54) OPRM1CHRM2HTR1AADRA2AADORA3

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-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 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-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD OPRM1 3660/4885CHRM2 4375/4885HTR1A 1428/4885

“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.