SCHEMBL5544306

SCHEMBL5544306

O=C(C1c2ccccc2CN1C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.62
NAMPT P43490 13/20 0.54
GAA P10253 2/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3709393 0.82 LSS (0.46) NAMPTGAAMEN1KMT2ALMNA
SCHEMBL13626545 0.77 F10 (0.49) NAMPTGAACA12CA2CA9
SCHEMBL75979 0.76 TRPV1 (0.65) TRPV1NAMPTGAACA12CA2
SCHEMBL4604029 0.74 F10 (0.42) GAAMEN1KMT2ATAS1R3TAS1R1
SCHEMBL4606187 0.74 F10 (0.42) GAAMEN1KMT2ATAS1R3TAS1R1
SCHEMBL13626506 0.71 NAMPT (0.50) TRPV1NAMPTGAAMEN1KMT2A
SCHEMBL13234938 0.71 CA12 (0.77) TRPV1NAMPTGAACA12CA2
SCHEMBL3704689 0.70 NAMPT (1.00) NAMPT
SCHEMBL4606642 0.70 F10 (0.54) TAS1R3TAS1R1TAS1R2
SCHEMBL4605212 0.70 F10 (0.54) TAS1R3TAS1R1TAS1R2

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
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 US 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 TRPV1 3268/4885NAMPT 3392/4885GAA 2189/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 TRPV1 3268/4885NAMPT 3392/4885GAA 2189/4885

“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.