SCHEMBL917787

SCHEMBL917787

COc1cc(CN2CCNCC2)c(C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
LMNA P02545 1/20 0.44
ADRB1 P08588 1/20 0.44
GNAI3 P08754 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MELK Q14680 1/20 0.41

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
SCHEMBL13452367 0.83 CYP1A2 (0.51) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL918331 0.82 KDM4E (0.43) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL916890 0.82 CYP1A2 (0.50) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL14252518 0.81 ADRB1 (0.53) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL917377 0.81 CYP1A2 (0.49) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL7300721 0.81 CYP1A2 (0.62) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL392360 0.81 CYP1A2 (0.62) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL13941383 0.80 OPRK1 (0.48) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL12904614 0.79 CYP1A2 (0.54) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL917288 0.78 CYP1A2 (0.46) CYP1A2CHRM2SLC6A4OPRD1OPRK1

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-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 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-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A CYP1A2 81/4885CHRM2 80/4885SLC6A4 2979/4885

“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.