SCHEMBL5848946

SCHEMBL5848946

C(=C/[C@@H]1CCCN1)\c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CHRNA7 P36544 3/20 0.50
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 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
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
JUN P05412 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL2212532 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL5848952 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL2212533 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL5849098 0.92 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL5849102 0.92 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL5133115 0.84 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP11B1CYP11B2
SCHEMBL5848903 0.82 AKT1 (0.47) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2
SCHEMBL5848897 0.82 AKT1 (0.47) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2
SCHEMBL5849085 0.82 AKT1 (0.47) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2
SCHEMBL2212399 0.81 KHK (0.39) CHRNB2CHRNA4CHRNA7KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US claimed
EP-1225955-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-07-31 EP claimed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US claimed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 WO 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
EP-1225955-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-07-31 EP disclosed
EP-1225955-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-07-31 EP disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US disclosed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 WO disclosed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA4 367/4885CHRNA7 259/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 CHRNB2 723/4885CHRNA4 367/4885CHRNA7 259/4885

“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.