SCHEMBL20645944

SCHEMBL20645944

CCC(=O)c1cc2n(n1)CC[C@@H]2C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.64
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
GRM5 P41594 1/20 0.31
PLAT P00750 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL31389779 0.83 RIPK1 (0.47) RIPK1GAATSHRGRM5PLAT
SCHEMBL31389495 0.81 RIPK1 (0.44) RIPK1GAAMAPTKMT2A
SCHEMBL20640756 0.78 RIPK1 (1.00) RIPK1TSHRGRM5KMT2A
SCHEMBL20641141 0.78 RIPK1 (1.00) RIPK1TSHRGRM5KMT2A
SCHEMBL20640677 0.78 RIPK1 (1.00) RIPK1TSHRGRM5KMT2A
SCHEMBL29297718 0.74 RIPK1 (0.55) RIPK1
SCHEMBL6380228 0.73 KMT2A (0.41) RIPK1GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6379779 0.73 RIPK1 (0.41) RIPK1GAAALDH1A1HPGDPLAT
SCHEMBL20645895 0.73 RIPK1 (0.53) RIPK1
SCHEMBL6380305 0.72 NPC1 (0.43) RIPK1ALDH1A1SMN1; SMN2KMT2A

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-10975095-B2 2021-04-13 US disclosed
US-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-04 US disclosed
WO-2019012063-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2019-01-17 WO 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 (2 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-20190100530-A1 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF HSD17B7, CYP11B1, CYP11B2 RIPK1 3489/4885GAA 1787/4885MAPT 2483/4885
US-10975095-B2 CYP1B1, UGT1A1, CYP4B1 RIPK1 4628/4885GAA 961/4885MAPT 2760/4885

“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.