SCHEMBL3453352

SCHEMBL3453352

c1ccc(-c2cncc(N3CCNCC3)c2)cc1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.66
HTR7 P34969 4/20 0.66
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 4/20 0.57
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
TGFBR1 P36897 1/20 0.53
CHRNA1 P02708 1/20 0.51
CHRNA7 P36544 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51

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 SCHEMBL3268024 0.98 HTR1A (0.64) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6350059 0.94 CHRNB2 (0.61) HTR1AHTR7CHRNB4CHRNA3CHRNB2
Fumaric Acid SCHEMBL27454235 0.89 HTR1A (0.54) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6348853 0.88 CHRNB2 (0.61) HTR1AHTR7CHRNB2CHRNA4
SCHEMBL6351651 0.87 ADRB2 (0.61) CHRNB2CHRNA4TGFBR1CHRNA1CHRNA7
SCHEMBL18790712 0.84 HTR1A (0.64) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL22236804 0.84 TGFBR1 (0.58) HTR1AHTR7CHRNB2CHRNA4ADRB1
SCHEMBL22236832 0.84 CHRNB2 (0.67) HTR1AHTR7CHRNB2CHRNA4HTR3E
SCHEMBL27682504 0.84 HTR7 (0.51) HTR1AHTR7CHRNB4CHRNA3CHRNB2
SCHEMBL6352432 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1491532-B1 Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetyloholine receptors NEUROSEARCH AS (DK) 2010-12-15 EP claimed
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US claimed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US claimed
CN-1277604-A Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH AS (DK) 2000-12-20 CN claimed
EP-1491532-B1 Heteroaryl diazacycloalkanes as cholinergic ligands at nicotinic acetyloholine receptors NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
WO-2010012758-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 WO 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
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP 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 HTR1A 1875/4885HTR7 1602/4885CHRNB4 1055/4885

“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.