SCHEMBL2014215

SCHEMBL2014215

CN(C)C1(Cc2ccccc2)CNCC[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
NISCH Q9Y2I1 4/20 0.39
CYP2D6 P10635 8/20 0.37
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 7/20 0.37
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
OPRL1 P41146 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 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
SCHEMBL2486825 0.79 BACE1 (0.38) MAOAMAOBNISCHCYP2D6SLC6A2
SCHEMBL2204712 0.74 HTR2A (0.40) MAOAMAOBCYP2D6SLC6A2SLC6A4
SCHEMBL654291 0.68 HTR2A (0.47) NISCHTSHROPRM1KCNH2
SCHEMBL4978918 0.67 TACR1 (0.35) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL27739954 0.67 SLC6A2 (0.40) MAOAMAOBCYP2D6SLC6A2SLC6A4
SCHEMBL12596335 0.66 SLC6A2 (0.47) MAOAMAOBCYP2D6SLC6A2SLC6A4
SCHEMBL4120433 0.66 OPRM1 (0.60) MAOAMAOBCYP2D6SLC6A2SLC6A4
SCHEMBL2201139 0.66 HTR2A (0.44) MAOASLC6A2SLC6A3OPRL1OPRM1
SCHEMBL17438658 0.66 OPRM1 (0.55) CYP2D6SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL491264 0.65 MAOA (0.61) MAOAMAOBCYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964631-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-α PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US claimed
US-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-12-23 US claimed
US-7834052-B2 Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US claimed
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US claimed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP claimed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed

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-20100324026-A1 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CD40, TNFRSF1A, OXER1 MAOA 2063/4885MAOB 1683/4885NISCH 4007/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 MAOA 2250/4885MAOB 1810/4885NISCH 4062/4885

“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.