SCHEMBL29935776

SCHEMBL29935776

O=Cc1ccc(C(F)(F)F)c(-n2cnnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NOTUM Q6P988 1/20 0.38
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL29936108 0.77 ALDH1A1 (0.45) KIF11ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31133447 0.74 TTR (0.49) CA12CA9NOTUMSMN1; SMN2
SCHEMBL21819344 0.74 TTR (0.49) CA12CA9NOTUMSMN1; SMN2
SCHEMBL472408 0.74 KIF11 (0.56) KIF11GRIA1GRIA2GRIA3GRIA4
SCHEMBL28596245 0.74 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2AKCNJ1
SCHEMBL24656129 0.73 NOTUM (0.38) KIF11CA12CA9NOTUMALDH1A1
SCHEMBL29417795 0.73 ALDH1A1 (0.61) KIF11NOTUMALDH1A1MEN1MAPT
SCHEMBL19582575 0.73 ALDH1A1 (0.61) KIF11NOTUMALDH1A1MEN1MAPT
SCHEMBL6849159 0.72 KIF11 (0.55) KIF11GRIA1GRIA2GRIA3GRIA4
SCHEMBL1237285 0.71 CYP1A2 (0.57) KIF11GRIA1GRIA2GRIA3GRIA4

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
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN 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-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 KIF11 2411/4885GRIA1 237/4885GRIA2 217/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH KIF11 3698/4885GRIA1 576/4885GRIA2 647/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2411/4885GRIA1 237/4885GRIA2 217/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 2411/4885GRIA1 237/4885GRIA2 217/4885

“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.