SCHEMBL30355755

SCHEMBL30355755

COc1cnccc1-c1noc(-c2ccc3c(c2)nnn3C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 2/20 0.42
AAK1 Q2M2I8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL23524335 1.00 POLB (0.44) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL30355687 0.92 S1PR1 (0.47) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL23523887 0.92 S1PR1 (0.47) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL23524121 0.92 POLB (0.44) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23523930 0.87 S1PR1 (0.53) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL30355751 0.87 S1PR1 (0.53) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL20587451 0.87 SMN1; SMN2 (0.60) POLBSMN1; SMN2RAB9ANPC1TP53
SCHEMBL29673275 0.87 SMN1; SMN2 (0.60) POLBSMN1; SMN2RAB9ANPC1TP53
SCHEMBL23523901 0.86 S1PR1 (0.47) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23524211 0.85 S1PR1 (0.53) RAB9ANPC1HPGDS1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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 (3 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 POLB 4432/4885SMN1; SMN2 1320/4885RAB9A 3056/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 POLB 4750/4885SMN1; SMN2 619/4885RAB9A 2056/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 POLB 4432/4885SMN1; SMN2 1320/4885RAB9A 3056/4885

“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.