SCHEMBL8488134

SCHEMBL8488134

N[C@H]1CC[C@H](C(=O)NCCN2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 3/20 0.52
RECQL P46063 3/20 0.51
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 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
SCHEMBL13661582 0.92 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL19849339 0.87 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795181 0.86 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795189 0.86 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795327 0.86 ALOX15 (0.56) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795132 0.84 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795126 0.84 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL9795359 0.84 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL13875530 0.82 SMN1; SMN2 (0.72) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL19010582 0.81 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2TSHRRECQL

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
EP-2010186-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-12-26 EP disclosed
US-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2012-05-24 US disclosed
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP 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-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES TPMT, MGMT, UNG ALOX15 1031/4885ALDH1A1 277/4885SMN1; SMN2 2354/4885

“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.