SCHEMBL1179408

SCHEMBL1179408

NCC1CCN(C2CCN(C3CCOCC3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
KCNH2 Q12809 2/20 0.33
PARP1 P09874 1/20 0.33
HRH3 Q9Y5N1 8/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL1699934 0.96 NCF1 (0.38) NCF1CHRM2CHRM4CHRM1HRH3
SCHEMBL1700154 0.96 NCF1 (0.38) NCF1CHRM2CHRM4CHRM1HRH3
SCHEMBL1699933 0.96 NCF1 (0.38) NCF1CHRM2CHRM4CHRM1HRH3
SCHEMBL6379437 0.89 NCF1 (0.45) NCF1CHRM2CHRM4CHRM1CHRM5
SCHEMBL1180398 0.87 NCF1 (0.41) NCF1CHRM1
SCHEMBL15045188 0.83 NCF1 (0.32) NCF1
SCHEMBL9437303 0.82 NCF1 (0.44) NCF1
SCHEMBL1700960 0.79 NCF1 (0.39) NCF1
SCHEMBL1700965 0.79 NCF1 (0.39) NCF1
SCHEMBL3637358 0.79 NCF1 (0.41) NCF1HRH3

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
EP-2240458-B1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20110046106-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 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-20110046106-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS SULT2A1, SULT1A1, ARSA NCF1 1507/4885CHRM2 476/4885CHRM4 1544/4885

“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.