SCHEMBL3762009

SCHEMBL3762009

CC(C)(C)N(C(=O)O)C(C)(C)CCn1c(=O)n(CC2CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
CRHR1 P34998 6/20 0.40
CRHR2 Q13324 4/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
APEX1 P27695 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 2/20 0.36
NOTUM Q6P988 1/20 0.35
PARG Q86W56 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
SCHEMBL3752895 0.82 SMN1; SMN2 (0.43) NPC1GAAAPEX1
SCHEMBL5119460 0.80 CNR2 (0.56) CNR2CRHR1CRHR2NPC1GAA
SCHEMBL3755469 0.79 CNR2 (0.46) CNR2CRHR1CRHR2NPC1GAA
SCHEMBL738179 0.75 MEN1 (0.50) HTT
SCHEMBL1853671 0.72 ALDH1A1 (0.56)
SCHEMBL2680469 0.71 CYP1A2 (0.54) CRHR1CRHR2NPC1GAAPARG
SCHEMBL30745333 0.68 CNR2 (0.56) CNR2NPC1GAAAPEX1CNR1
SCHEMBL25720574 0.65 CYP1A2 (0.48) CRHR1CRHR2NPC1PARG
SCHEMBL21463869 0.65 TSHR (0.51) CNR2CRHR1CRHR2NPC1GAA
SCHEMBL21463866 0.65 TSHR (0.51) CNR2CRHR1CRHR2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B CNR2 183/4885CRHR1 109/4885CRHR2 136/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B CNR2 183/4885CRHR1 109/4885CRHR2 136/4885

“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.