SCHEMBL1901136

SCHEMBL1901136

CC(C)(C)c1cc(C(=O)NNC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 1.00
MAPT P10636 5/20 1.00
CRHBP P24387 1/20 1.00
CRHR2 Q13324 1/20 1.00
GAA P10253 6/20 0.80
MAPK1 P28482 4/20 0.80
TASP1 Q9H6P5 1/20 0.63
ALDH1A1 P00352 2/20 0.63
AGTR1 P30556 1/20 0.63
GRN P28799 1/20 0.57
SORT1 Q99523 1/20 0.57
RECQL P46063 1/20 0.56
KCNJ6 P48051 2/20 0.55
KCNJ5 P48544 2/20 0.55
KCNJ3 P48549 2/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1899837 0.92 NPSR1 (0.85) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1902223 0.88 NPSR1 (0.78) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1899487 0.86 GAA (0.76) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1896635 0.84 NPSR1 (0.72) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1898164 0.82 NPSR1 (0.89) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1900130 0.81 GAA (0.69) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL146787 0.81 NPSR1 (0.74) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1899685 0.80 NPSR1 (0.85) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1902248 0.80 NPSR1 (0.71) NPSR1MAPTCRHBPCRHR2GAA
SCHEMBL1905801 0.80 NPSR1 (0.77) NPSR1MAPTCRHBPCRHR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B NPSR1 1816/4885MAPT 1326/4885CRHBP 4564/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C NPSR1 1770/4885MAPT 1289/4885CRHBP 4576/4885

“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.