SCHEMBL10165382

SCHEMBL10165382

CC(C(=O)C(C)(C)C)N1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
RIPK1 Q13546 2/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL27643466 0.85 NOTUM (0.55) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10203776 0.84 NOTUM (0.58) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4553227 0.84 NOTUM (0.54) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10165554 0.82 NOTUM (0.53) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11978597 0.82 KDM4E (0.50) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11978607 0.81 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1HTT
SCHEMBL10203615 0.81 NOTUM (0.51) NOTUMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11978595 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTSHRALDH1A1RIPK1
SCHEMBL10165389 0.79 NOTUM (0.47) NOTUMMAPTKMT2AALDH1A1LMNA
SCHEMBL31677529 0.78 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2MAPTMEN1KMT2A

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
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B NOTUM 1907/4885SMN1; SMN2 1767/4885MAPT 2165/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B NOTUM 1907/4885SMN1; SMN2 1767/4885MAPT 2165/4885

“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.