SCHEMBL20878487

SCHEMBL20878487

CCCCCCN1CC2(COC2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
EBP Q15125 1/20 0.44
GNAI3 P08754 6/20 0.41
GNAO1 P09471 6/20 0.41
GNAI1 P63096 6/20 0.41
GUSB P08236 2/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GBA1 P04062 1/20 0.34

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
SCHEMBL20858268 1.00 SIGMAR1 (0.44) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL26718337 0.92 GLB1 (0.36) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL12674082 0.83 L3MBTL3 (0.34)
SCHEMBL22859605 0.81 S1PR1 (0.49) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL25653853 0.81 S1PR1 (0.44) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL25834628 0.79 GNAI3 (0.44) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL23480987 0.78 DNM1 (0.33) SIGMAR1EBP
SCHEMBL26580522 0.77 EGFR (0.31)
SCHEMBL26894648 0.76 GNAO1 (0.43) SIGMAR1EBPGNAI3GNAO1GNAI1
SCHEMBL23554783 0.76 S1PR1 (0.43) SIGMAR1EBPGNAI3GNAO1GNAI1

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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-10253018-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-09 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 (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-10253018-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX SIGMAR1 2083/4885EBP 668/4885GNAI3 1630/4885
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885EBP 3184/4885GNAI3 1664/4885

“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.