SCHEMBL2220446

SCHEMBL2220446

C[Sn](C)(C)c1ccc(CN2CCN(C(=O)c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ CCR3 P51677 1/20 0.52
▸ PRKAB2 O43741 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PRKAG3 Q9UGI9 1/20 0.51
▸ PRKAG2 Q9UGJ0 1/20 0.51
▸ PRKAB1 Q9Y478 1/20 0.51
▸ FAAH O00519 13/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL12513600 0.88 FAAH (0.63) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL16598803 0.87 FAAH (0.64) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL12438396 0.87 NPC1 (0.57) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL12438404 0.86 NPC1 (0.56) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL1135024 0.86 NPC1 (0.56) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL2219964 0.86 GPR183 (0.57) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL12438409 0.86 NPC1 (0.56) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL13645262 0.86 NPC1 (0.56) NPC1CCR3PRKAB2PRKAG1PRKAA2
SCHEMBL16598448 0.80 KDM4E (0.66) MEN1LMNAKMT2ASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL10334549 0.79 POLB (0.62) FAAHMEN1LMNATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178396-A1 Nicotinamide Derivatives CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2011-07-21 — — 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 (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-20110178396-A1 Nicotinamide Derivatives NAMPT, NNT, NNMT NPC1 1772/4885CCR3 2853/4885PRKAB2 2147/4885

“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.

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