SCHEMBL2264130

SCHEMBL2264130

C=CC(=O)NCc1ccc(C)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.50
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 3/20 0.38
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL5082960 0.84 NPC1 (0.55) TGM2NPC1RAB9AKMT2ALMNA
SCHEMBL18636751 0.80 TGM2 (0.44) TGM2NPC1RAB9AKMT2AMAPT
SCHEMBL5797683 0.80 NPC1 (0.42) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL5797631 0.80 RAB9A (0.42) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL25976165 0.77 MAPK8 (0.44) NPC1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL5797688 0.74 NPC1 (0.40) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL9634503 0.74 TGM2 (0.44) TGM2NPC1RAB9AKMT2AALDH1A1
SCHEMBL959540 0.74 TGM2 (0.69) TGM2NPC1RAB9AKMT2AMAPT
SCHEMBL29004445 0.73 SMN1; SMN2 (0.61) TGM2NPC1RAB9AKMT2AMAPT
SCHEMBL6581126 0.72 MMP13 (0.55) TGM2NPC1RAB9AKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH TGM2 3401/4885NPC1 1318/4885RAB9A 2429/4885

“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.