SCHEMBL19203786

SCHEMBL19203786

CC(C)(C)Cc1cnnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
RIPK1 Q13546 2/20 0.36
TGFBR1 P36897 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 2/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
HPGD P15428 1/20 0.32
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
XIAP P98170 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL10755988 0.81 GPR3 (0.41) GPR3TGFBR1CYP1A2CYP2C19ATM
SCHEMBL9114839 0.79 GPR3 (0.46) GPR3TGFBR1CYP1A2CYP2C19GAA
SCHEMBL24498634 0.76 RIPK1 (0.35) GPR3RIPK1PKM
SCHEMBL637764 0.76 GPR3 (0.48) GPR3TGFBR1CYP1A2CYP2C19GAA
SCHEMBL11732569 0.75 LOXL2 (0.52) GPR3TGFBR1CYP1A2GAAALDH1A1
SCHEMBL14518818 0.74 ELANE (0.41) GPR3TGFBR1CYP1A2CYP2C19ALDH1A1
SCHEMBL9911120 0.73 GPR3 (0.44) GPR3TGFBR1CYP1A2CYP2C19ATM
SCHEMBL11954971 0.72 LOXL2 (0.58) CYP1A2ALDH1A1KDM4ELMNALOXL2
SCHEMBL29098844 0.72 BCL2 (0.44) GPR3MEN1KMT2AELANE
SCHEMBL5294917 0.71 TLR8 (0.46) ATMGAAALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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 (3 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 GPR3 308/4885RIPK1 2958/4885TGFBR1 3821/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GPR3 2677/4885RIPK1 504/4885TGFBR1 2168/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GPR3 308/4885RIPK1 2958/4885TGFBR1 3821/4885

“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.