SCHEMBL6359735

SCHEMBL6359735

Cc1ccc(N2CCCNCC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 5/20 0.56
NCF1 P14598 1/20 0.46
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
HRH4 Q9H3N8 2/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HTR3A P46098 2/20 0.43
HTR6 P50406 2/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL8326134 0.93 BPTF (0.62) BPTFNCF1CASP1CASP4CASP5
SCHEMBL30561625 0.84 CYP1A2 (0.57) BPTFCYP1A2ALDH1A1MAPK1HTT
SCHEMBL15317040 0.84 CYP1A2 (0.52) BPTFCYP1A2ALDH1A1MAPK1HTT
SCHEMBL13750688 0.84 CYP1A2 (0.57) BPTFCYP1A2ALDH1A1MAPK1HTT
SCHEMBL13750551 0.82 CYP1A2 (0.60) CYP1A2KDM4EALDH1A1MAPK1HTT
SCHEMBL5654761 0.80 BPTF (0.56) BPTFCASP1CASP4CASP5HRH4
SCHEMBL5238778 0.80 BPTF (0.87) BPTFCASP1CASP4CASP5CHRNB2
SCHEMBL5656393 0.80 CHRNB2 (0.56) BPTFCASP1CASP4CASP5HRH4
SCHEMBL20249260 0.80 BPTF (0.51) BPTFCASP1CASP4CASP5HRH4
Hydrochloric Acid SCHEMBL9219094 0.79 BPTF (0.84) BPTFCASP1CASP4CASP5CHRNB2

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 12 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
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP claimed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 WO claimed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 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
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 BPTF 3152/4885NCF1 333/4885CASP1 3451/4885

“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.