SCHEMBL2269291

SCHEMBL2269291

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
CTNNB1 P35222 1/20 0.48
CAPN1 P07384 1/20 0.47
MMP9 P14780 2/20 0.47
CASP1 P29466 1/20 0.46
MME P08473 2/20 0.45
ACE P12821 2/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CTSL P07711 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL2270111 1.00 TACR1 (0.51) TACR1CTNNB1CAPN1MMP9CASP1
SCHEMBL2544632 0.87 CTNNB1 (0.52) TACR1CTNNB1CAPN1MMP9CASP1
SCHEMBL9852737 0.85 CASP1 (0.48) CTNNB1CAPN1MMP9CASP1MME
SCHEMBL25660784 0.82 CTNNB1 (0.45) CTNNB1MMP9CASP1KMT2ATDP1
SCHEMBL9631575 0.82 CTNNB1 (0.45) CTNNB1MMP9CASP1KMT2ATDP1
SCHEMBL9727662 0.82 CTNNB1 (0.45) CTNNB1MMP9CASP1KMT2ATDP1
SCHEMBL27922304 0.81 ACACB (0.57) TACR1CTNNB1MMP9MMEACE
SCHEMBL27922307 0.81 ACACB (0.57) TACR1CTNNB1MMP9MMEACE
SCHEMBL7864197 0.81 CASP1 (0.47) CAPN1CASP1KMT2AMEN1CTSL
SCHEMBL7856009 0.81 CASP1 (0.47) CAPN1CASP1KMT2AMEN1CTSL

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
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-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
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 disclosed
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 disclosed
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP disclosed
EP-0673254-A4 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS. ABBOTT LAB (US) 1998-11-18 EP disclosed
EP-0673254-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-27 EP disclosed
WO-1994013313-A1 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1994-06-23 WO disclosed
US-5300492-A Suppressing levels of sex hormones in male or female mammals TAP PHARMACEUTICALS (US) 1994-04-05 US disclosed
US-5110904-A Luteinizing hormone releasing hormone; suppression of sex hormones ABBOTT LABORATORIES (US) 1992-05-05 US disclosed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 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 (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-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 TACR1 227/4885CTNNB1 4201/4885CAPN1 1240/4885
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 TACR1 227/4885CTNNB1 4201/4885CAPN1 1240/4885

“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.