SCHEMBL3892467

SCHEMBL3892467

Fc1ccc(CN2CCC(Oc3ccccc3Br)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
BACE1 P56817 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL3886322 0.91 MCHR1 (0.59) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL17456055 0.86 MCHR1 (0.53) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL10606002 0.80 HRH3 (0.59) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL1926800 0.80 ALDH1A1 (0.46) MCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL10610517 0.79 SMN1; SMN2 (0.60) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL1926914 0.79 LMNA (0.42) MCHR1SMN1; SMN2SIGMAR1
SCHEMBL1928491 0.75 KDM4E (0.49) MCHR1SMN1; SMN2
SCHEMBL10608988 0.75 MEN1 (0.59) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL10608615 0.75 MCHR1 (0.59) MCHR1BCHEACHEBACE1SMN1; SMN2
SCHEMBL1927488 0.73 UTS2R (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E MCHR1 4214/4885BCHE 1241/4885ACHE 519/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK MCHR1 4271/4885BCHE 1255/4885ACHE 568/4885

“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.