SCHEMBL3248045

SCHEMBL3248045

N#Cc1cccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.53
FASN P49327 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
BRAF P15056 2/20 0.47
DGAT1 O75907 3/20 0.46
CYP3A4 P08684 1/20 0.46
SOAT1 P35610 1/20 0.46
PPARG P37231 2/20 0.46
GRM5 P41594 2/20 0.46

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
Hydrochloric Acid SCHEMBL3252662 0.99 RORC (0.52) RORCFASNL3MBTL1BRAFDGAT1
SCHEMBL3247180 0.88 FASN (0.49) FASNL3MBTL1PPARG
Hydrochloric Acid SCHEMBL3252146 0.87 FASN (0.48) FASNL3MBTL1PPARG
SCHEMBL3252070 0.85 ULK1 (0.47) FASNDGAT1CYP3A4SOAT1
SCHEMBL4085694 0.85 KCNQ3 (0.57)
SCHEMBL3248803 0.85 RORC (0.54) RORCL3MBTL1BRAF
SCHEMBL3249731 0.85 KMT2A (0.59) DGAT1CYP3A4SOAT1
SCHEMBL3246091 0.85 KCNH2 (0.51) L3MBTL1DGAT1CYP3A4SOAT1
Hydrochloric Acid SCHEMBL3252697 0.84 ULK1 (0.46) FASNDGAT1CYP3A4SOAT1
Hydrochloric Acid SCHEMBL3252677 0.84 RORC (0.54) RORCL3MBTL1BRAF

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-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US claimed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US claimed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP claimed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 US claimed
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US disclosed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US disclosed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP disclosed
US-7662808-B2 N-[4-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-phenyl]-benzamide; disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 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-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS CHRNA6, CHRNA10, CHRNA2 RORC 818/4885FASN 1415/4885L3MBTL1 3778/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 RORC 853/4885FASN 1388/4885L3MBTL1 3771/4885

“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.