SCHEMBL10074485

SCHEMBL10074485

Brc1ccc2c(c1)CCC1(O2)SCCS1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
AHR P35869 3/20 0.33
BACE1 P56817 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
RXRA P19793 1/20 0.32
PNMT P11086 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
HTR2C P28335 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL13520098 0.76 SIGMAR1 (0.42) KDM1ABACE1HTR2C
SCHEMBL10074974 0.75 KDM1A (0.37) KDM1AAHRBACE1LMNAMAPT
SCHEMBL2090589 0.75 HRH3 (0.38) KDM1AAHRHRH3
SCHEMBL669764 0.75 MAPT (0.47) KDM1AMAPT
SCHEMBL27469647 0.72 KDM1A (0.38) KDM1AAHRBACE1LMNAMAPT
SCHEMBL5321592 0.71 HTR2C (0.46) KDM1AAHRPNMTASIC3HTR2C
SCHEMBL13520097 0.70 SIGMAR1 (0.40) HTR2C
SCHEMBL14945598 0.70 HTR2A (0.42) BACE1HTR2CHRH3
SCHEMBL15898925 0.69 AKT1 (0.47) KDM1AAHRBACE1MAPTRXRA
SCHEMBL9283266 0.69 BACE1 (0.33) KDM1AAHRBACE1LMNAMAPT

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-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
EP-2668187-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 EP disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
WO-2012084804-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 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-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES GABBR1, CYP1B1, GABBR2 KDM1A 529/4885AHR 66/4885BACE1 1323/4885

“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.