SCHEMBL5737833

SCHEMBL5737833

CC1(C)CC(=O)c2c(C(=O)Nc3ccc(CO)cc3)c[nH]c2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
NHERF1 O14745 1/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
CFTR P13569 1/20 0.40
EHMT2 Q96KQ7 10/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5735099 0.89 RXFP1 (0.45) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6773600 0.87 ALDH1A1 (0.55) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL5733437 0.87 NHERF1 (0.49) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6779126 0.86 RXFP1 (0.48) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6767875 0.86 ALDH1A1 (0.53) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6771471 0.84 EHMT2 (0.49) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL5735016 0.84 BUB1 (0.43) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6891078 0.84 LMNA (0.55) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL6773177 0.84 MAPT (0.52) RXFP1TP53THRBNTRK3NTRK2
SCHEMBL5735789 0.81 NHERF1 (0.46) NHERF1ROCK2ROCK1ALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US claimed
EP-1019372-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-07-19 EP claimed
WO-1997026243-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-07-24 WO claimed
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
EP-1019372-B1 FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-04-05 EP disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 US disclosed
US-6080873-A Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-06-27 US disclosed
US-5804686-A GAMMA-AMINOBUTYRIC ACID; AGONISTS, ANTAGONISTS, OR INVERSE AGONISTS NEUROGEN CORPORATION (US) 1998-09-08 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 RXFP1 792/4885TP53 4107/4885THRB 426/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 RXFP1 117/4885TP53 4841/4885THRB 221/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 RXFP1 122/4885TP53 4832/4885THRB 221/4885

“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.