SCHEMBL1082893

SCHEMBL1082893

COc1ccc2ccc(F)c(C(CO)CN3CCC(N)CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.37
SLC2A1 P11166 3/20 0.35
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
HTR2C P28335 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL1036797 0.84 SLC2A1 (0.42) KCNH2SLC2A1MTNR1AMTNR1BHTR2C
SCHEMBL3150340 0.84 MAPT (0.39) KCNH2SLC2A1
SCHEMBL3150331 0.84 MAPT (0.39) KCNH2SLC2A1
SCHEMBL3217443 0.81 SLC2A1 (0.35) KCNH2SLC2A1MTNR1AMTNR1BHTR2C
SCHEMBL1267791 0.81 SLC2A1 (0.40) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL3214187 0.80 PTGS2 (0.37) KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL3220013 0.79 TRPV3 (0.40)
SCHEMBL1837381 0.78 MTNR1A (0.36) KCNH2MTNR1AMTNR1BHTR2C
SCHEMBL5746247 0.78 KCNH2 (0.42) KCNH2PTPN11
SCHEMBL1081703 0.78 KCNH2 (0.41) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012961-B2 Tricyclic antibiotics ACTELION PHARMACEUTICAL LTD. (CH) 2011-09-06 US disclosed
US-20110039836-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 US disclosed
EP-2276766-A1 TRICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-01-26 EP disclosed
WO-2009128019-A1 TRICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2009-10-22 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-20110039836-A1 TRICYCLIC ANTIBIOTICS OPRM1, UBE2D3, METTL3 KCNH2 924/4885SLC2A1 4373/4885MTNR1A 228/4885

“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.