SCHEMBL6260293

SCHEMBL6260293

c1ccc(COc2cncc(N3CCNCC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.58
CHRNB2 P17787 5/20 0.57
CHRNA4 P43681 5/20 0.57
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
NTRK1 P04629 1/20 0.49

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 SCHEMBL6416257 0.99 PRMT5 (0.57) PRMT5CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL6349704 0.95 CHRNB2 (0.65) PRMT5CHRNB2CHRNA4
SCHEMBL6350404 0.84 NPC1 (0.52) PRMT5CHRNB2CHRNA4
SCHEMBL4671546 0.82 ADRB1 (0.59) PRMT5HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL335477 0.81 LTA4H (0.64) PRMT5HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1532961 0.81 ADRB1 (0.57) PRMT5HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23199749 0.81 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL1134480 0.81 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL6415146 0.81 SLC6A7 (0.50) SIRT2SIRT1SIRT3
SCHEMBL3453466 0.80 CHRNB2 (0.66) CHRNB2CHRNA4

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
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US disclosed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 WO disclosed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US disclosed
CN-1131211-C Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2003-12-17 CN disclosed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN disclosed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 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-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 PRMT5 2500/4885CHRNB2 700/4885CHRNA4 1019/4885

“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.