SCHEMBL2033217

SCHEMBL2033217

Cc1nc(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.65
CNR2 P34972 7/20 0.65
GRM5 P41594 11/20 0.56
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL16404208 0.84 CNR1 (0.64) CNR1CNR2GRM5MAPTHTT
SCHEMBL16404204 0.81 CNR1 (0.67) CNR1CNR2GRM5ALDH1A1MAPT
SCHEMBL16404261 0.81 CNR1 (0.60) CNR1CNR2GRM5
SCHEMBL3684239 0.81 CNR1 (0.57) CNR1CNR2GRM5ALDH1A1MAPT
SCHEMBL30387595 0.80 WNT3A (0.61) CNR1CNR2GRM5RAB9A
SCHEMBL20604171 0.80 WNT3A (0.61) CNR1CNR2GRM5RAB9A
SCHEMBL23889217 0.80 CNR1 (0.56) CNR1CNR2GRM5ALDH1A1HTT
SCHEMBL1078089 0.80 CNR1 (0.56) CNR1CNR2GRM5ALDH1A1MAPT
SCHEMBL5999099 0.79 CNR1 (0.65) CNR1CNR2GRM5MAPTHPGD
SCHEMBL4961512 0.79 CNR1 (0.55) CNR1CNR2GRM5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US claimed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP claimed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO claimed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 CNR1 44/4885CNR2 57/4885GRM5 226/4885

“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.