SCHEMBL2276747

SCHEMBL2276747

CC(C)(C)C1CCC(c2nc3ccc(C(=O)CCl)cc3[nH]2)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MLLT1 Q03111 2/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABL1 P00519 1/20 0.33
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL571303 0.78 PRCP (0.47) HCRTR1HCRTR2
SCHEMBL571792 0.75 CHEK2 (0.49) HCRTR1HCRTR2
SCHEMBL571791 0.75 CHEK2 (0.49) HCRTR1HCRTR2
SCHEMBL17220105 0.75 PRCP (0.35) HCRTR1HCRTR2
SCHEMBL1841241 0.70 SCN10A (0.56) BCHEACHEALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2476920 0.70
SCHEMBL27839559 0.69 BCHE (0.36) BCHEACHEALDH1A1SMN1; SMN2CYP2D6
SCHEMBL16894012 0.67 HCRTR1 (0.33) ALDH1A1HCRTR1HCRTR2NPSR1
SCHEMBL19488316 0.67 CHEK2 (0.41) BCHEACHEHCRTR1HCRTR2
SCHEMBL2283562 0.67

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-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS BCHE 1164/4885ACHE 3080/4885ALDH1A1 1144/4885

“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.