SCHEMBL4844077

SCHEMBL4844077

COCC[C@H]1CN(C2=Nc3ccc(F)cc3Nc3sccc32)CCN1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
HRH1 P35367 2/20 0.42
PAK1 Q13153 1/20 0.42
HTR3E A5X5Y0 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HTR3B O95264 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
GAA P10253 1/20 0.38
RARG P13631 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 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
SCHEMBL4836972 1.00 CHRM1 (0.42) CHRM1HRH1PAK1HTR3EMEN1
SCHEMBL4842701 0.95 CHRM1 (0.41) CHRM1HRH1PAK1
SCHEMBL4842694 0.95 CHRM1 (0.41) CHRM1HRH1PAK1
SCHEMBL4835632 0.90 CHRM1 (0.39) CHRM1HRH1PAK1HTR3EMEN1
SCHEMBL4835650 0.90 CHRM1 (0.39) CHRM1HRH1PAK1HTR3EMEN1
SCHEMBL4840573 0.88 CHRM1 (0.48) CHRM1HRH1HTR3EMEN1USP2
SCHEMBL4840562 0.88 CHRM1 (0.48) CHRM1HRH1HTR3EMEN1USP2
SCHEMBL801437 0.88 CHRM1 (0.52) CHRM1HRH1PAK1HTR3EMEN1
SCHEMBL4835702 0.88 CHRM1 (0.52) CHRM1HRH1PAK1HTR3EMEN1
Hydrochloric Acid SCHEMBL4844972 0.87 CHRM1 (0.51) CHRM1HRH1PAK1HTR3EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 CHRM1 302/4885HRH1 570/4885PAK1 1696/4885

“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.