SCHEMBL2268274

SCHEMBL2268274

N[C@@H](C=O)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
TRPA1 O75762 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 1/20 0.39
DPP4 P27487 3/20 0.39
TPH1 P17752 2/20 0.39
IDO1 P14902 3/20 0.39
AGXT P21549 2/20 0.39
CPA1 P15085 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
MME P08473 1/20 0.36

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
SCHEMBL2269305 1.00 LOXL2 (0.43) LOXL2TRPA1TAAR1MAOBDPP4
SCHEMBL12809801 1.00 LOXL2 (0.43) LOXL2TRPA1TAAR1MAOBDPP4
SCHEMBL13078008 0.83 TP53 (0.35) TAAR1
SCHEMBL8855721 0.83 TSHR (0.39) TAAR1
SCHEMBL9498462 0.81 CYP3A4 (0.42) LOXL2TAAR1MAOB
SCHEMBL2269394 0.81 CYP3A4 (0.42) LOXL2TAAR1MAOB
SCHEMBL6670843 0.81 HRH3 (0.48) LOXL2TAAR1
SCHEMBL6670839 0.81 HRH3 (0.48) LOXL2TAAR1
SCHEMBL242931 0.81 CYP3A4 (0.42) LOXL2TAAR1MAOB
SCHEMBL24311641 0.79 CYP1A2 (0.41) DPP4IDO1DPP7

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 88 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-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP claimed
EP-0673254-A4 6-POSITION MODIFIED DECAPEPTIDE LHRH ANTAGONISTS. ABBOTT LAB (US) 1998-11-18 EP claimed
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 EP claimed
US-5767082-A ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1998-06-16 US claimed
US-5698522-A INHIBIT RELEASE OF LUTEINIZING HORMONE RELEASING HORMONE ABBOTT LABORATORIES (US) 1997-12-16 US claimed
JP-H09501913-A 1997-02-25 JP claimed
EP-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 EP claimed
JP-H08505611-A 1996-06-18 JP 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
EP-0301850-A2 LHRH antagonist analogs and 19-nor-progestational steroids for therapy SYNTEX (U.S.A.) INC. (US) 1989-02-01 EP claimed
EP-0277829-A2 Nonapeptide and decapeptide analogs of LHRH as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP claimed
EP-0127899-B1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH The Administrators of The Tulane University Educational Fund (US) 1987-10-21 EP claimed
EP-0188214-A2 Novel growth hormone-releasing peptides and method of treating mammals therewith The Administrators of The Tulane University Educational Fund (US) 1986-07-23 EP claimed
EP-0145768-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY, David Howard (US) 1985-06-26 EP claimed
WO-1984004916-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY DAVID HOWARD (US) 1984-12-20 WO claimed
EP-0127899-A1 Cyclic pentapeptides displaying somatostatin antagonism and method of treatment of mammals therewith The Administrators of The Tulane University Educational Fund (US) 1984-12-12 EP 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 (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 LOXL2 4664/4885TRPA1 4475/4885TAAR1 478/4885
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 LOXL2 4664/4885TRPA1 4475/4885TAAR1 478/4885

“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.