SCHEMBL2335602

SCHEMBL2335602

COc1ccc2c(C=O)ccc(OCc3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ERN1 O75460 3/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 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
SCHEMBL2330050 0.86 PDGFRB (0.42) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL2330048 0.86 PDGFRB (0.42) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL2332801 0.81 ADORA1 (0.43) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL2330032 0.81 FOLH1 (0.51) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL2325480 0.79 KDM4E (0.44) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL31518005 0.78 KCNH2 (0.44) SMN1; SMN2MAPTL3MBTL1CCNB2CDK1
SCHEMBL8346630 0.78 NPC1 (0.55) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL17544544 0.76 HTT (0.55) SMN1; SMN2MAPTL3MBTL1CCNB2CDK1
SCHEMBL2331163 0.75 MEN1 (0.55) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL3269301 0.74 MAPT (0.59) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8193179-B2 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-06-05 US disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 US disclosed
EP-2167494-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-03-31 EP disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
EP-2094267-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2009034546-A2 TRANS-DECAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-03-19 WO disclosed
WO-2008152603-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-12-18 WO disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO 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-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ELANE, AAAS, DNPEP SMN1; SMN2 2874/4885NPC1 1767/4885MAPT 3570/4885
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 SMN1; SMN2 3859/4885NPC1 1918/4885MAPT 4584/4885

“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.