SCHEMBL15945569

SCHEMBL15945569

Cc1cccc(C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
ALOX15B O15296 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV6 Q9H1D0 2/20 0.37
PDE10A Q9Y233 2/20 0.36

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
SCHEMBL731682 0.81 ALDH1A1 (0.39) HTR2CDRD4ALDH1A1HPGDKDM4E
SCHEMBL20010986 0.81 SLC6A2 (0.44) HTR2CDRD2DRD4DRD3HTR2A
SCHEMBL5718532 0.80 MGLL (0.40) HTR2CALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL27448802 0.80 SMN1; SMN2 (0.36) HTR2CDRD2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL2916071 0.80 HTR2C (0.57) HTR2CDRD2ALDH1A1HPGDKDM4E
SCHEMBL5730886 0.80 MGLL (0.40) HTR2CDRD2IKBKETBK1
SCHEMBL14117575 0.80 ESR2 (0.41) ALDH1A1HPGDKDM4EHCRTR1LMNA
SCHEMBL25795324 0.80 HTR2C (0.61) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL14336757 0.79 SLC18A3 (0.45) DRD2ALDH1A1GAAL3MBTL1IKBKE
SCHEMBL1515269 0.78 HTR2C (0.74) HTR2CDRD2DRD1DRD4DRD5

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-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 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-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL HTR2C 3438/4885DRD2 4532/4885DRD1 4679/4885

“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.