SCHEMBL29328614

SCHEMBL29328614

CC(C)CCN1CC2COCC2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
RORC P51449 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GUSB P08236 2/20 0.31

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
SCHEMBL21870593 0.80 PIK3CD (0.52) SMN1; SMN2PIK3CDPOLB
SCHEMBL24750688 0.76 KDM1A (0.33) GBA1SMN1; SMN2
SCHEMBL23665093 0.76 GBA1 (0.41) GBA1SIGMAR1GUSB
SCHEMBL29314332 0.76 HRH3 (0.33) GBA1PIK3CD
SCHEMBL24233177 0.76 GBA1 (0.33) GBA1
SCHEMBL21870605 0.76 PIK3CD (0.52) SMN1; SMN2PIK3CDPOLB
SCHEMBL22262762 0.75 KDM4E (0.43) GBA1
SCHEMBL21025208 0.75 GBA1 (0.43) GBA1SIGMAR1GUSB
SCHEMBL11777036 0.75 KDM4E (0.43) GBA1
SCHEMBL16538653 0.74 TSHR (0.35) GBA1SIGMAR1

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-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 GBA1 2745/4885RORC 112/4885SMN1; SMN2 4781/4885

“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.