SCHEMBL21849002

SCHEMBL21849002

Cc1nc2cccc(C)n2c1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 7/20 0.39
PKLR P30613 5/20 0.39
PKM P14618 5/20 0.39
GAA P10253 10/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
PPP1CA P62136 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 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
SCHEMBL24655955 0.82 KMT2A (0.51) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL21849005 0.80 KDM4E (0.55) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL18754397 0.76 HTT (0.58) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL16506289 0.73 HTT (0.54) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL4772682 0.71 KMT2A (0.57) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL13377204 0.71 KDM4E (0.61) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL21863678 0.70 HTT (0.51) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL25526775 0.70
SCHEMBL11356063 0.70 HTT (0.70) HTTKDM4EALDH1A1POLBCYP1A2
SCHEMBL2733516 0.70 NPSR1 (0.64) KDM4EALDH1A1HPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTT 3309/4885KDM4E 2800/4885ALDH1A1 344/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTT 3293/4885KDM4E 2437/4885ALDH1A1 312/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTT 3309/4885KDM4E 2800/4885ALDH1A1 344/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HTT 3293/4885KDM4E 2437/4885ALDH1A1 312/4885

“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.