SCHEMBL2876202

SCHEMBL2876202

c1coc(-c2ccc(N3CCNCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.52
HTR3E A5X5Y0 4/20 0.52
HTR3B O95264 4/20 0.52
HTR3A P46098 4/20 0.52
HTR3D Q70Z44 4/20 0.52
HTR3C Q8WXA8 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
HRH1 P35367 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
LTA4H P09960 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPKAPK2 P49137 3/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL28269640 0.83 MAPT (0.50) TAAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL6354328 0.79 CHRNB2 (0.50) HRH1KCNH2HRH4HRH3ABCB1
SCHEMBL15244925 0.79 MAPKAPK2 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15245011 0.78 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12911538 0.77 HDAC2 (0.53) HRH1KCNH2HRH4HRH3PLD1
SCHEMBL32667432 0.76 SIGMAR1 (0.56) SIGMAR1HRH3TAAR1ALDH1A1CCNC
Hydrochloric Acid SCHEMBL943407 0.76 HDAC2 (0.53) HRH1KCNH2HRH4HRH3PLD1
SCHEMBL5570604 0.75 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
Piperazine SCHEMBL3365003 0.74 TAAR1 (0.50) TAAR1ABCB1ALDH1A1USP2TSHR
SCHEMBL1359864 0.74 ADRB1 (0.76) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
EP-1984331-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-10-29 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 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-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ADRB1 2114/4885HTR3E 4390/4885HTR3B 3917/4885

“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.