SCHEMBL1582687

SCHEMBL1582687

COC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD11B1 P28845 2/20 0.46
HTT P42858 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
WNT3A P56704 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL1582865 0.88 HTR2A (0.51) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1582488 0.88 HTR2A (0.51) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1582906 0.87 HSD11B1 (0.61) HTR2AHTR2CCYP2C19SMN1; SMN2LMNA
SCHEMBL1582339 0.87 MGLL (0.56) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL12722481 0.87 HTR2A (0.56) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1582825 0.87 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CYP2C19
SCHEMBL12721483 0.86 HTR2A (0.55) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1583020 0.86 HTR2A (0.55) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1582370 0.86 HTR2A (0.55) HTR2AHTR2CHTR7HTR6CYP2D6
SCHEMBL1582730 0.85 HSD11B1 (0.57) HTR2AHTR2CHTR7HTR6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546100-B1 NEW BENZOYL PIPERIDINE COMPOUNDS SK HOLDINGS CO LTD (KR) 2011-04-20 EP disclosed
EP-1546100-B1 NEW BENZOYL PIPERIDINE COMPOUNDS SK HOLDINGS CO LTD (KR) 2011-04-20 EP disclosed
US-6770659-B2 Benzoyl piperidine compounds SK CORPORATION (KR) 2004-08-03 US disclosed
US-20040044033-A1 New benzoyl piperidine compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2004-03-04 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-20040044033-A1 New benzoyl piperidine compounds GABRE, GRIN2C, GRIN1 HTR2A 171/4885HTR2C 145/4885HTR7 780/4885

“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.