SCHEMBL2264222

SCHEMBL2264222

N[C@H](C=O)Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CA2 P00918 1/20 0.44
ACP3 P15309 1/20 0.43
TACR1 P25103 1/20 0.43
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL2269603 1.00 CTNNB1 (0.49) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL15471613 0.82 EPHX1 (0.38) MEN1KMT2ASIGMAR1
SCHEMBL18577920 0.82 CTNNB1 (0.45) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL8484930 0.81 CTNNB1 (0.51) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL11275502 0.81 CTNNB1 (0.51) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL14615507 0.81 TACR1 (0.46) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL3681421 0.79 CYP1A2 (0.52) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL6444453 0.79 CTNNB1 (0.53) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL6618927 0.79 CTNNB1 (0.49) CTNNB1SLC1A3SLC1A2SLC1A1TDP1
SCHEMBL10857577 0.79 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9

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 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 US claimed
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists VOYAGER PHARMACEUTICAL CORPORATION 2008-07-17 US claimed
EP-1078002-B1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LAB (US) 2008-05-21 EP claimed
EP-1232183-B1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LAB (US) 2006-01-18 EP claimed
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 US claimed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
US-6753408-B1 DRUGS USED FOR THERAPY ABBVIE INC. 2004-06-22 US claimed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 US claimed
US-6632795-B1 Treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US claimed
EP-0981358-B1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AG (DE) 2003-05-28 EP claimed
EP-0145258-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH AGONISTS, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1987-04-15 EP claimed
EP-0052510-B1 MICROENCAPSULATION OF WATER SOLUBLE POLYPEPTIDES SYNTEX (U.S.A.) INC. (US) 1986-08-27 EP claimed
EP-0145258-A1 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH agonists, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-06-19 EP claimed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP claimed
EP-0042753-B1 NONAPEPTIDE AND DECAPEPTIDE AGONISTS OF LUTEINIZING HORMONE RELEASING HORMONE CONTAINING HETEROCYCLIC AMINO ACID RESIDUES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOUNDS CONTAINING THEM, AND THEIR PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1984-03-21 EP claimed
EP-0052510-A2 Microencapsulation of water soluble polypeptides SYNTEX (U.S.A.) INC. (US) 1982-05-26 EP claimed
US-4318905-A Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues SYNTEX (U.S.A.) INC. (US) 1982-03-09 US claimed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP claimed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP claimed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 US claimed

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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS GNRHR, GRIN1, GRIN3A CTNNB1 4201/4885SLC1A3 374/4885SLC1A2 290/4885
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists GNRHR, GRIN1, GRIN3A CTNNB1 4201/4885SLC1A3 374/4885SLC1A2 290/4885
US-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 CTNNB1 1561/4885SLC1A3 899/4885SLC1A2 2045/4885

“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.