SCHEMBL742438

SCHEMBL742438

O=C(O)[C@@]1(Cc2ccccc2)CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
HDAC4 P56524 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL740836 1.00 MAOA (0.39) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL2573934 0.88 MAOA (0.41) MAOAMAOBADRB2ALDH1A1HTT
SCHEMBL923461 0.80 MAOA (0.48) MAOAMAOBKDM4EADRB2ALDH1A1
SCHEMBL1664848 0.78 KMT2A (0.46) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL5818358 0.77 AKR1C1 (0.47) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL3716772 0.77 MAOA (0.45) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL29024354 0.75 CYP2C19 (0.48) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL11373445 0.75 CYP2C19 (0.48) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL6585961 0.75 CYP2C19 (0.48) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL31500148 0.74 AOC3 (0.43) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (4 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-20050245565-A1 Diamine derivatives C9, C1S, C1R MAOA 3264/4885MAOB 2147/4885KDM4E 3971/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R MAOA 3736/4885MAOB 2668/4885KDM4E 3773/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAOA 3264/4885MAOB 2147/4885KDM4E 3971/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MAOA 168/4885MAOB 161/4885KDM4E 588/4885

“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.