SCHEMBL2292002

SCHEMBL2292002

CN1C2CCCC1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL929913 0.91 LMNA (0.37) HTR6KCNH2LMNACYP2C9
Hydrochloric Acid SCHEMBL14880059 0.88 LMNA (0.36) HTR6KCNH2LMNACYP2C9
SCHEMBL701588 0.85 MAPK1 (0.46) HTR6MAPK1LMNACYP2C9
Hydrochloric Acid SCHEMBL274610 0.83 MAPK1 (0.44) HTR6MAPK1LMNACYP2C9
SCHEMBL1449366 0.80 HTR6 (0.43) HTR6MAPK1LMNACYP2C9
SCHEMBL10690019 0.79
SCHEMBL9595459 0.78 LMNA (0.42) MAPK1LMNACYP2C9
SCHEMBL14320158 0.77 MAPK1 (0.57) MAPK1LMNACYP2C9
SCHEMBL410993 0.77 MAPK1 (0.57) MAPK1LMNACYP2C9
Pyrrolidine SCHEMBL21806662 0.76 MAPK1 (0.43) HTR6MAPK1LMNACYP2C9

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
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US disclosed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US disclosed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
CN-1185233-C Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2005-01-19 CN disclosed
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN disclosed
US-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US disclosed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
EP-1177196-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-02-06 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO disclosed
WO-2000066586-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-09 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 (3 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 HTR6 87/4885MAPK1 1108/4885KCNH2 733/4885
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 HTR6 86/4885MAPK1 3093/4885KCNH2 1957/4885
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA2 HTR6 804/4885MAPK1 810/4885KCNH2 906/4885

“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.