SCHEMBL6354020

SCHEMBL6354020

Clc1ccc(N2CCCCNCC2)nn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.84
CYP1A2 P05177 2/20 0.72
ALDH1A1 P00352 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
HRH4 Q9H3N8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL5238778 0.95 BPTF (0.87) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL9219094 0.94 BPTF (0.84) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL6360151 0.92 BPTF (0.80) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL181761 0.92 BPTF (1.00) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL9309714 0.90 BPTF (0.96) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL4818062 0.90 BPTF (0.96) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Fumaric Acid SCHEMBL27501218 0.88 BPTF (0.65) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL29845748 0.86 CYP1A2 (0.96) BPTFCYP1A2ALDH1A1LMNAHTT
SCHEMBL421732 0.86 CYP1A2 (0.96) BPTFCYP1A2ALDH1A1LMNAHTT
SCHEMBL1849545 0.84 CYP1A2 (1.00) BPTFCYP1A2ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 BPTF 3152/4885CYP1A2 162/4885ALDH1A1 2299/4885

“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.