SCHEMBL2011472

SCHEMBL2011472

O=C(c1ccc[nH]1)C1CNCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP1B1 Q16678 2/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A1 P04798 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL2569683 0.76 KMT2A (0.39) TSHRKMT2AMAPT
SCHEMBL2204294 0.73 FLT3 (0.49) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL3553231 0.73 NPC1 (0.36) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL844367 0.72 CES2 (0.41) CYP2D6TSHRCYP1A2MEN1KMT2A
SCHEMBL844809 0.72 CHRNB2 (0.46) KMT2ANPC1LMNAMAPTRAB9A
SCHEMBL3559018 0.72 CES2 (0.41) TSHRMEN1KMT2ANPC1MAPT
SCHEMBL1853130 0.72 CHRNB2 (0.51) MEN1KMT2AMAPT
SCHEMBL3561987 0.69 PIN1 (0.44) TSHR
SCHEMBL10769591 0.69 CES2 (0.41)
SCHEMBL6396362 0.69 CHRNB2 (0.43) CYP2D6CYP1A2MEN1KMT2ANPC1

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 CYP2D6 1098/4885TSHR 1288/4885CYP1A2 852/4885
US-20070299050-A1 Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha CD40, TNFRSF1A, OXER1 CYP2D6 1314/4885TSHR 1162/4885CYP1A2 1004/4885

“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.