SCHEMBL2847572

SCHEMBL2847572

CCOC(=O)c1cnc2oc(COC)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MIF P14174 1/20 0.36
PFKFB3 Q16875 1/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7418388 0.81 MAOB (0.47) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL28156452 0.76 MAOB (0.48) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL1101119 0.73 MAOB (0.47) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL16682554 0.71 CA12 (0.49) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL8716707 0.71 KDM4E (0.41) MAOBCYP2C9CYP2C19NPC1RAB9A
Hydrochloric Acid SCHEMBL8712518 0.71 F10 (0.42) MAOBCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL26412819 0.70 CYP2C9 (0.56) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL22912516 0.68 CA12 (0.53) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL29793278 0.68 MAOB (0.56) MAOBCYP2C9CYP2C19CA12CA1
SCHEMBL5961479 0.68 HPGD (0.52) MAOBCYP2C9CYP2C19CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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 (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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A MAOB 143/4885CYP2C9 992/4885CYP2C19 1519/4885

“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.