SCHEMBL6358191

SCHEMBL6358191

CN1CCN(c2cncc(Oc3cccnc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
HTR3A P46098 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL6358630 0.95 HRH4 (0.52) HRH4LMNATDP1HRH3ALDH1A1
SCHEMBL6359620 0.88 HTR6 (0.49) HRH4HTR3ACHRNB2CHRNA4
SCHEMBL6355692 0.83 CHRNB2 (0.47) HRH4HTR3ACHRNB2CHRNA4
SCHEMBL6358304 0.83 CHRNB2 (0.58) LMNATDP1CHRNB2CHRNA4
SCHEMBL732444 0.80 CHRNB2 (0.59) ALDH1A1CHRNB2CHRNA4
SCHEMBL30199895 0.80 CHRNB2 (0.59) ALDH1A1CHRNB2CHRNA4
SCHEMBL6352719 0.79 CYP1A2 (0.53) LMNAALDH1A1
SCHEMBL6349975 0.79 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL3453215 0.79 CHRNB2 (0.65) HTR3ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28787385 0.78 CHRNB2 (0.57) ALDH1A1CHRNB2CHRNA4

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 3 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
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 1693/4885LMNA 2394/4885TDP1 4366/4885

“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.