SCHEMBL6358630

SCHEMBL6358630

CN1CCCN(c2cncc(Oc3cccnc3)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6358191 0.95 HRH4 (0.56) HRH4HRH3LMNATDP1CHRNB2
SCHEMBL6355692 0.90 CHRNB2 (0.47) HRH4CHRNB2CHRNA4
SCHEMBL6359620 0.84 HTR6 (0.49) HRH4CHRNB2CHRNA4
SCHEMBL5655570 0.82 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1
SCHEMBL6352897 0.82 CYP1A2 (0.49) LMNACHRNB2CHRNA4ALDH1A1
SCHEMBL6351595 0.81 CHRNB2 (0.67) CHRNB2CHRNA4
SCHEMBL6352301 0.80 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL6349975 0.80 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL6352765 0.79 CHRNB2 (0.61) HRH4CHRNB2CHRNA4ALDH1A1
SCHEMBL6358304 0.79 CHRNB2 (0.58) LMNATDP1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH4 1693/4885HRH3 1739/4885LMNA 2394/4885

“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.