SCHEMBL3971875

SCHEMBL3971875

Cc1cc(C)cc(CN2CC[N]CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
GPR183 P32249 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL3968717 0.82 ALDH1A1 (0.57) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL15872041 0.81 HRH3 (0.54) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL2097411 0.80 ALDH1A1 (0.63) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3352630 0.79 HRH3 (0.58) ALDH1A1POLBKDM4EHTT
SCHEMBL2097149 0.78 HRH3 (0.46) CYP11B1CYP11B2MEN1KMT2A
SCHEMBL18753614 0.78 LMNA (0.58) GPR183ALDH1A1LMNAPOLBMAPT
SCHEMBL26114519 0.78 MEN1 (0.42) CYP11B1CYP11B2GPR183ALDH1A1LMNA
SCHEMBL13803959 0.76 MAPT (0.56) ALDH1A1MAPTKDM4EBRD4HTT
SCHEMBL2091772 0.76 L3MBTL1 (0.61) ALDH1A1LMNAPOLBKDM4EHTT
SCHEMBL10701191 0.76 ALDH1A1 (0.44) CYP11B1CYP11B2GPR183ALDH1A1LMNA

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP11B1 44/4885CYP11B2 47/4885GPR183 264/4885

“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.