SCHEMBL21848985

SCHEMBL21848985

CC(C)(C)c1cc(-n2cnnc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTK2 Q05397 1/20 0.36
LMNA P02545 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.35
HTT P42858 2/20 0.33
PRKCI P41743 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL21863400 0.75 UHRF1 (0.46) CYP2C9CYP1A2SMN1; SMN2KMT2AL3MBTL1
SCHEMBL22601552 0.74 MAP3K5 (0.40)
SCHEMBL22601587 0.73 HRH4 (0.51) LMNASMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL22601451 0.71 HRH4 (0.54) LMNASMN1; SMN2ALDH1A1HSD17B10HTT
SCHEMBL21849564 0.70 CYP1A2 (0.42) CYP2C9CYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL21848983 0.70 KDM4E (0.37) CYP2C9CYP1A2CYP2D6PTK2HSD17B10
SCHEMBL21848982 0.70 GRM5 (0.45) LMNASMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL20224121 0.70 HRH4 (0.56) LMNASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL20224125 0.69 LMNA (0.45) LMNASMN1; SMN2ALDH1A1HSD17B10HTT
SCHEMBL20224122 0.69 ADRB2 (0.51) CYP2C9CYP1A2CYP2D6ALDH1A1HTT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP2C9 773/4885CYP1A2 767/4885CYP2D6 625/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2C9 773/4885CYP1A2 767/4885CYP2D6 625/4885

“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.