SCHEMBL13990742

SCHEMBL13990742

CC(C)(C)c1c(-c2ccccc2)nnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ GPR3 P46089 1/20 0.45
▸ ADORA2A P29274 2/20 0.42
▸ NUDT1 P36639 3/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ELANE P08246 1/20 0.37

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
SCHEMBL28244973 0.76 LMNA (0.51) LMNAADORA2ANUDT1AKT1AKT2
SCHEMBL9910953 0.76 LMNA (0.55) LMNAHTTGPR3ADORA2ANUDT1
SCHEMBL16132349 0.76 GPR3 (0.50) LMNAHTTGPR3NUDT1TSHR
SCHEMBL13222013 0.74 ATM (0.55) LMNAHTTGPR3NUDT1TSHR
SCHEMBL28945928 0.73 LMNA (0.57) LMNAHTTGPR3ADORA2ANUDT1
SCHEMBL16132400 0.72 LCK (0.46) LMNAGPR3TSHRPDE10AMAPT
SCHEMBL13990854 0.71 LMNA (0.50) LMNAHTTGPR3ADORA2ANUDT1
SCHEMBL19161610 0.70 ALDH1A1 (0.45) LMNAHTTTSHRMAPTMEN1
SCHEMBL14289088 0.70 GPR3 (0.43) LMNAHTTGPR3TSHRMEN1
SCHEMBL28897868 0.69 LMNA (0.43) LMNAHTTADORA2AAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — 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 (1 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 LMNA 3446/4885HTT 945/4885GPR3 27/4885

“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.

Send feedback