SCHEMBL7004191

SCHEMBL7004191

CCCCOc1ccc([C@H]2CCC(=O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.42
S1PR3 Q99500 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7005119 1.00 CRBN (0.55) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL17996701 0.91 CRBN (0.52) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL13195338 0.91 HRH3 (0.64) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL7002551 0.88 HRH3 (0.47) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL15740948 0.88 LMNA (0.50) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL24923827 0.87 HRH3 (0.50) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL15492773 0.85 PPARG (0.50) CRBNHRH3NPC1PDE4APDE4B
SCHEMBL7005161 0.85 PPARG (0.50) CRBNHRH3NPC1PDE4APDE4B
SCHEMBL6765500 0.84 NPC1 (0.56) CRBNHRH3NPC1RAB9ALMNA
SCHEMBL18255376 0.82 HRH3 (0.55) CRBNHRH3NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 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 (2 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL CRBN 1783/4885HRH3 112/4885NPC1 2262/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL CRBN 1783/4885HRH3 112/4885NPC1 2262/4885

“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.