SCHEMBL14749317

SCHEMBL14749317

CC1CC(c2ccccc2)CN1C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.59
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 4/20 0.56
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.47
STAT1 P42224 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CCR5 P51681 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
SCHEMBL11145541 0.86 NPC1 (0.54) GRIN2BNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4206100 0.75 HTRA1 (0.53)
SCHEMBL18853751 0.75 HTRA1 (0.53)
SCHEMBL4196684 0.75 HTRA1 (0.53)
SCHEMBL15730122 0.75 HTRA1 (0.53)
SCHEMBL15730092 0.75 HTRA1 (0.53)
SCHEMBL16608101 0.75 GRIN2B (1.00) GRIN2BNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16600721 0.75 GRIN2B (1.00) GRIN2BNPC1RAB9ASMN1; SMN2TP53
SCHEMBL23327023 0.73 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL31234028 0.73 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2TP53TSHR

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-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 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-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE SOD1, CAT, APEX1 GRIN2B 2708/4885NPC1 1674/4885RAB9A 2431/4885

“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.