SCHEMBL3306289

SCHEMBL3306289

O=C(OCc1ccccc1)[C@H]1CC=CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 2/20 0.47
MIF P14174 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CYP2C19 P33261 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL472070 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TSHRMIF
SCHEMBL717144 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1TSHRMIF
SCHEMBL2159645 0.90 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL19204881 0.85 TSHR (0.50) SMN1; SMN2RAB9ATSHRALDH1A1GAA
SCHEMBL2621303 0.85 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL6666657 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL10917021 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL280126 0.83 FABP7 (0.58) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
SCHEMBL3367169 0.82 FABP7 (0.54) SMN1; SMN2RAB9ANPC1TSHRALDH1A1
Hydrochloric Acid SCHEMBL27765522 0.82 FABP7 (0.57) SMN1; SMN2RAB9ANPC1TSHRALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (9 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 SMN1; SMN2 4166/4885RAB9A 2734/4885NPC1 4535/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SMN1; SMN2 847/4885RAB9A 1817/4885NPC1 3353/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 SMN1; SMN2 1044/4885RAB9A 3368/4885NPC1 3879/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMN1; SMN2 473/4885RAB9A 3294/4885NPC1 3358/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMN1; SMN2 666/4885RAB9A 3393/4885NPC1 3819/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SMN1; SMN2 847/4885RAB9A 1678/4885NPC1 3934/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 SMN1; SMN2 4166/4885RAB9A 2734/4885NPC1 4535/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMN1; SMN2 656/4885RAB9A 3496/4885NPC1 3454/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMN1; SMN2 3201/4885RAB9A 3604/4885NPC1 2819/4885

“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.