SCHEMBL24926672

SCHEMBL24926672

CCCCCCN1CCC[C@H]1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 1/20 0.47
GBA1 P04062 2/20 0.44
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
GNAO1 P09471 6/20 0.41
GNAI3 P08754 5/20 0.40
GNAI1 P63096 5/20 0.40
BCHE P06276 1/20 0.39
GBA2 Q9HCG7 2/20 0.38

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
SCHEMBL24926618 0.98 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL25959090 0.93 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL24926283 0.93 GBA2 (0.41) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL10172780 0.87 GBA2 (0.40) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL24926332 0.85 GBA1 (0.38) GBA1
SCHEMBL18199654 0.85 GBA1 (0.38) GBA1
SCHEMBL15471354 0.85 GBA1 (0.38) GBA1
SCHEMBL22871223 0.84 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL21859862 0.84 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL13297120 0.81 S1PR1 (0.43) S1PR1S1PR3S1PR5S1PR4GBA1

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 S1PR1 3024/4885S1PR3 2660/4885S1PR5 2304/4885

“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.