SCHEMBL5848822

SCHEMBL5848822

C(#C[C@@H]1CCCN1)c1cncc(-c2ccccc2Oc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 4/20 0.39
KCNH2 Q12809 1/20 0.36
RIPK1 Q13546 1/20 0.36
FYN P06241 1/20 0.35
CAMKK2 Q96RR4 2/20 0.35
BRD4 O60885 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRND Q07001 1/20 0.34
CHRNB3 Q05901 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LTA4H P09960 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
SCHEMBL5848832 1.00 CHRNB2 (0.39) CHRNB2CHRNA4KCNH2RIPK1FYN
SCHEMBL5848829 0.87 LTA4H (0.42) CHRNB2CHRNA4RIPK1LTA4H
SCHEMBL5848974 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL5848969 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL5849392 0.83 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7689824 0.76 GRM5 (0.47) CHRNB2CHRNA4KCNH2CHRNB1CHRNB4
SCHEMBL5848685 0.76 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL5849142 0.76 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7689822 0.76 GRM5 (0.47) CHRNB2CHRNA4KCNH2CHRNB1CHRNB4
SCHEMBL5848679 0.76 CYP19A1 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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 9 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 claimed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US claimed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO claimed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US claimed
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 CHRNB2 723/4885CHRNA4 367/4885KCNH2 1118/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA4 367/4885KCNH2 1118/4885

“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.