SCHEMBL3826883

SCHEMBL3826883

O=C1Cc2cc(-c3ccc(OC4C5CC6CC4CN(C6)C5)cn3)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOB P27338 3/20 0.37
AKT1 P31749 1/20 0.37
CRBN Q96SW2 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MTOR P42345 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MAP3K11 Q16584 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36

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
Hydrochloric Acid SCHEMBL3826929 0.99 KDM1A (0.42) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL17004234 0.77 CHRNA7 (0.42) KDM1ACHRNA7
SCHEMBL745239 0.76 KDM1A (0.47) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL29604064 0.76 KCNH2 (0.47) MAP3K11PDE10ACHRNA7
SCHEMBL17004276 0.76 KCNH2 (0.47) MAP3K11PDE10ACHRNA7
SCHEMBL748520 0.76 KDM1A (0.45) KDM1APDE3BPDE3ACYP1A2CYP11B1
Hydrochloric Acid SCHEMBL746931 0.75 KDM1A (0.45) KDM1APDE3BPDE3ACYP1A2CYP11B1
SCHEMBL17004244 0.73 CHRNA7 (0.43) CHRNA7
SCHEMBL17004213 0.69 CHRNB2 (0.41) CHRNA7
SCHEMBL17004264 0.68 CHRNB2 (0.39) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP claimed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US claimed
US-20130096132-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2013-04-18 US claimed
EP-2099795-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS Abbott Laboratories (US) 2009-09-16 EP claimed
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents ABBOTT LABORATORIES (US) 2008-07-10 US claimed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO claimed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO claimed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
US-20130096132-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2013-04-18 US disclosed
US-8314119-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2012-11-20 US disclosed
EP-2099795-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS Abbott Laboratories (US) 2009-09-16 EP disclosed
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008058096-A9 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LAB (US) 2008-06-26 WO disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 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-20130096132-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 KDM1A 406/4885PDE3B 91/4885PDE3A 57/4885
US-20080167336-A1 Alzheimer's disease; central nervous system disorders; aids; Pick's disease; attention deficit disorder; hyperactivity; Down's syndrome, amytropic lateral sclerosis; Huntington's disease; suppression of smoking; drug abruse; brain disorders; analgesics; antiinflammatory agents HTT, ACHE, CHRNA10 KDM1A 1596/4885PDE3B 1796/4885PDE3A 971/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 KDM1A 406/4885PDE3B 91/4885PDE3A 57/4885

“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.