SCHEMBL3263264

SCHEMBL3263264

C=CCN1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP7 P55210 1/20 0.43
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 3/20 0.40
CHRNA7 P36544 1/20 0.38
OPRD1 P41143 1/20 0.38
DRD4 P21917 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 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
SCHEMBL27605992 0.82 CHRNA7 (0.38) MAPTCYP2D6SIGMAR1CHRNA7DRD4
SCHEMBL175992 0.81 CHRNA7 (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6550226 0.79 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17194427 0.79 MAPT (0.51) MAPTSIGMAR1TMEM97CHRNA7DRD4
SCHEMBL5795262 0.78
SCHEMBL19035644 0.76 CHRNA7 (0.51) MAPTCYP2D6SIGMAR1CHRNA7OPRD1
SCHEMBL7423220 0.76 OPRD1 (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL188197 0.76 CHRNA7 (0.66) MAPTSIGMAR1CHRNA7DRD4ADRA2A
SCHEMBL82888 0.73 MAPT (0.47) MAPTSIGMAR1TMEM97DRD4ADRA2A
SCHEMBL458240 0.73 OPRD1 (0.59) SIGMAR1TMEM97OPRD1HTR2CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US claimed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP claimed
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors GRUNENTHAL GMBH (DE) 2010-01-14 US claimed
EP-2046797-A1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP claimed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP disclosed
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2046797-A1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP disclosed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP 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-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors ABCB1, COLGALT1, SLC40A1 MAPT 911/4885CYP1A2 1147/4885CYP3A4 1049/4885

“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.