SCHEMBL29935892

SCHEMBL29935892

COc1cnc(C=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
SIRT6 Q8N6T7 1/20 0.46
MAPT P10636 3/20 0.37
KCNJ1 P48048 1/20 0.37
APLNR P35414 2/20 0.37
ERN1 O75460 4/20 0.36

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
SCHEMBL14832858 1.00 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25402290 0.80 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1825784 0.78 KCNJ1 (0.48) MAPTKCNJ1ALDH1A1
SCHEMBL3138241 0.78 SIRT6 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3720752 0.76 GABRP (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Iodide SCHEMBL28714110 0.75 KCNJ1 (0.47) KCNJ1ALDH1A1
SCHEMBL20685033 0.75 KCNJ1 (0.35) KCNJ1KDM4EALDH1A1
SCHEMBL19181021 0.74 ERN1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29956586 0.74 DRD1 (0.34) KCNJ1ALDH1A1
SCHEMBL15494732 0.72 NCF1 (0.31) MAPTKCNJ1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TUBB4A 3047/4885TUBB 2862/4885TUBA3C 3541/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH TUBB4A 3091/4885TUBB 2419/4885TUBA3C 2397/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TUBB4A 3047/4885TUBB 2862/4885TUBA3C 3541/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TUBB4A 3047/4885TUBB 2862/4885TUBA3C 3541/4885

“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.