SCHEMBL7320079

SCHEMBL7320079

CCC([C]=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
TAAR1 Q96RJ0 5/20 0.43
SIGMAR1 Q99720 4/20 0.43
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
TP53 P04637 1/20 0.41
SLC18A2 Q05940 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1697450 0.87 CYP1A2 (0.48) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL27758693 0.85 CYP1A2 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11297959 0.84 HDAC3 (0.45) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7300322 0.81 CNR2 (0.44) SIGMAR1
SCHEMBL1177110 0.80 CTSC (0.42) CYP1A2MEN1KMT2A
SCHEMBL7294571 0.80 CSNK1E (0.50)
SCHEMBL985725 0.79 CTSL (0.39) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5049235 0.79 EPHX1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8759048 0.79 CYP1A2 (0.42) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5050487 0.79 EPHX1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2018-10-25 US disclosed
US-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide ALPHABETA AB (SE) 2018-07-17 US disclosed
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 US disclosed
EP-3094641-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE Alphabeta AB (SE) 2016-11-23 EP disclosed
WO-2015107170-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2015-07-23 WO disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP 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-10023610-B2 Ligands for prevention of neurotoxicity of the alzheimer's disease related amyloid-beta peptide APP, BACE1, PSEN1 TRPA1 2934/4885TAAR1 911/4885SIGMAR1 1818/4885
US-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 TRPA1 3028/4885TAAR1 910/4885SIGMAR1 1631/4885
US-20180305404-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 TRPA1 3028/4885TAAR1 910/4885SIGMAR1 1631/4885

“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.