SCHEMBL7548356

SCHEMBL7548356

c1cncc(CO[C@H]2CCNC2)c1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.84
CHRM1 P11229 5/20 0.84
CHRM3 P20309 5/20 0.84
CHRNB2 P17787 4/20 0.84
CHRNA4 P43681 4/20 0.84
SLC6A4 P31645 6/20 0.55
SLC6A2 P23975 5/20 0.55
SLC6A3 Q01959 5/20 0.55
KCNH2 Q12809 4/20 0.55
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PRKCZ Q05513 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
MGMT P16455 1/20 0.43

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
SCHEMBL7546090 1.00 CHRM2 (0.84) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1307426 0.99 CHRNB2 (0.82) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1002021 0.92 CHRNB2 (1.00) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1239032 0.91 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL19023484 0.90 CHRM2 (0.68) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1306914 0.81 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1306919 0.81 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL943620 0.81 SLC6A2 (0.68) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL110365 0.81 SLC6A2 (0.68) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL2978516 0.81 SLC6A2 (0.68) CHRM2CHRM1CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 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 (1 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 CHRM2 1973/4885CHRM1 1495/4885CHRM3 2711/4885

“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.