SCHEMBL5848903

SCHEMBL5848903

C(=C[C@H]1CCCN1)c1cncc(Oc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.47
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
CHRNA7 P36544 4/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRND Q07001 1/20 0.40
CYP19A1 P11511 1/20 0.39
CHUK O15111 1/20 0.39
DYRK3 O43781 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL5848897 1.00 AKT1 (0.47) AKT1HRH3LMNATDP1CHRNB2
SCHEMBL5849085 1.00 AKT1 (0.47) AKT1HRH3LMNATDP1CHRNB2
SCHEMBL5850636 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL5849340 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL5849329 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA7CHRNA3
SCHEMBL5850489 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA3CHRNB1
SCHEMBL5848620 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA3CHRNB1
SCHEMBL5848605 0.85 AKT1 (0.45) AKT1CHRNB2CHRNA4CHRNA3CHRNB1
SCHEMBL5848946 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7KHKPOLB
SCHEMBL2212533 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7KHKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885HRH3 760/4885LMNA 1971/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885HRH3 760/4885LMNA 1971/4885

“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.