SCHEMBL21243082

SCHEMBL21243082

CC(C)C(=O)N1CCc2[nH]c3ccccc3c2C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.76
BAZ2B Q9UIF8 2/20 0.76
LMNA P02545 1/20 0.76
TAAR1 Q96RJ0 1/20 0.61
KMT2A Q03164 3/20 0.61
CHRNA7 P36544 1/20 0.59
ALDH1A1 P00352 4/20 0.59
CASP1 P29466 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MCL1 Q07820 1/20 0.59
CASP7 P55210 2/20 0.58

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
SCHEMBL17040277 0.89 GPX4 (0.67) MAPTBAZ2BLMNAKDM4EGPX4
SCHEMBL28387618 0.86 BAZ2B (1.00) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL28468258 0.85 MAPT (0.77) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL16462808 0.83 MAPT (0.75) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL14015615 0.83 MAPT (0.75) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL24405315 0.83 MAPT (0.74) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL17040355 0.81 BAZ2B (0.51) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL21222687 0.81 TAAR1 (0.72) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL3079170 0.81 MAPT (0.71) MAPTBAZ2BLMNATAAR1KMT2A
SCHEMBL31228651 0.81 TAAR1 (0.72) MAPTBAZ2BLMNATAAR1KMT2A

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-20210155625-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-b]INDOLE INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES THE ROCKEFELLER UNIVERSITY (US) 2021-05-27 US disclosed
WO-2019153002-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-B]INDOLE INHIBITORS OF CGAS FOR TREATING AUTOINFLAMMATORY DISEASES LAMA LODOE (US) 2019-08-08 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 (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-20210155625-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-b]INDOLE INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES STING1, IRF3, CGAS MAPT 4371/4885BAZ2B 3306/4885LMNA 3393/4885

“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.