SCHEMBL29314332

SCHEMBL29314332

CC(C)CCN1CC2CCCC2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
GBA1 P04062 1/20 0.33
OPRK1 P41145 1/20 0.33
PIK3CD O00329 1/20 0.33
CCR5 P51681 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL18233562 0.80 CYP2D6 (0.36) GBA1OPRK1PIK3CD
SCHEMBL21218158 0.79 GNAI3 (0.33) HRH3GBA1OPRK1ARG1ARG2
SCHEMBL17916213 0.78 OPRK1 (0.33) HRH3OPRK1
SCHEMBL24233177 0.77 GBA1 (0.33) GBA1
SCHEMBL16996948 0.77 GNAI3 (0.33) HRH3
SCHEMBL23872561 0.76 GBA1 (0.39) GBA1DRD2
SCHEMBL13102196 0.76 GBA1 (0.39) GBA1DRD2
SCHEMBL29328614 0.76 GBA1 (0.36) GBA1PIK3CD
SCHEMBL16538653 0.76 TSHR (0.35) GBA1
SCHEMBL23420620 0.75 OPRM1 (0.31)

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD HRH3 3642/4885GBA1 2745/4885OPRK1 2326/4885

“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.