SCHEMBL1927734

SCHEMBL1927734

Ic1ccc(C2CCCCN2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRNA7 P36544 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
NR1H4 Q96RI1 1/20 0.35
AURKA O14965 1/20 0.34
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM2 P08172 3/20 0.33
CHRM1 P11229 2/20 0.33
CHRM4 P08173 2/20 0.33
SLC6A3 Q01959 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
SCHEMBL28873940 0.95 CHRNB2 (0.44) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL1927311 0.95 CHRNB2 (0.44) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL24364145 0.80 CHRNB2 (0.45) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL31512120 0.80 CHRNB2 (0.45) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL24366636 0.76 MEN1 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2561385 0.76 CHRNB2 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL23891929 0.76 LTA4H (0.43) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2555955 0.76 CHRNB2 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL31664272 0.76 LTA4H (0.43) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL31137500 0.75 LTA4H (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 CHRNB2 2067/4885CHRNA4 1310/4885MEN1 1642/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 CHRNB2 2195/4885CHRNA4 1856/4885MEN1 1990/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHRNB2 2067/4885CHRNA4 1310/4885MEN1 1642/4885

“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.