SCHEMBL3831380

SCHEMBL3831380

Fc1cccc(-c2nnc(Br)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B1 P14061 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
TRPM8 Q7Z2W7 5/20 0.44
NOTUM Q6P988 1/20 0.42
HSD17B2 P37059 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
S1PR1 P21453 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
SCHEMBL8047555 0.80 KDM4E (0.65) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL460799 0.80 KDM4E (0.65) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL3829254 0.80 KDM4E (1.00) KDM4EMEN1KMT2AGAANOTUM
SCHEMBL22617533 0.78 KDM4E (0.58) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL3826842 0.76 HDAC1 (0.44) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL27163421 0.76 KDM4E (0.59) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL27163556 0.76 KDM4E (0.59) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL30046069 0.76 KDM4E (0.59) KDM4EMEN1KMT2ANPC1GAA
SCHEMBL928937 0.76 ALDH1A1 (0.53) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL30910014 0.75 KDM4E (0.58) KDM4EMEN1KMT2ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 CN disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
CN-103554107-A Azaadamantane derivatives and methods of use ABBOTT LAB 2014-02-05 CN 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 (2 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 KDM4E 93/4885MEN1 561/4885KMT2A 716/4885
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 KDM4E 1337/4885MEN1 3293/4885KMT2A 948/4885

“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.