SCHEMBL3829192

SCHEMBL3829192

Brc1nnc(Oc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
TSHR P16473 3/20 0.44
MLYCD O95822 1/20 0.39
BCAT2 O15382 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ACACB O00763 2/20 0.36
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
MAOA P21397 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL31083394 0.77 PTGS1 (0.48) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL25355309 0.76 SCN5A (0.36) MAPTSMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL31409587 0.76 SLC6A4 (0.38) LTA4HLMNAKDM4ERAB9AL3MBTL1
SCHEMBL12475977 0.72 MLYCD (0.51) LTA4HTSHRMLYCDALDH1A1POLB
SCHEMBL9362428 0.68 LTA4H (0.46) LTA4HTSHRMLYCDBCAT2MAPT
SCHEMBL6122699 0.68 NPC1 (0.42) LTA4HTSHRMLYCDALDH1A1MAPT
SCHEMBL6264790 0.67 LTA4H (0.44) LTA4HTSHRMLYCDBCAT2MAPT
Diphenylether SCHEMBL9061108 0.65 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL2461810 0.65 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL12286 0.65 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA

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
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
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 LTA4H 1194/4885TSHR 1089/4885MLYCD 2540/4885
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 LTA4H 3075/4885TSHR 3040/4885MLYCD 3082/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 LTA4H 1194/4885TSHR 1089/4885MLYCD 2540/4885

“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.