SCHEMBL2269394

SCHEMBL2269394

Nc1ccc(C[C@@H](N)C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GFER P55789 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
TP53 P04637 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SOAT1 P35610 1/20 0.36
SLC6A4 P31645 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 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
SCHEMBL242931 1.00 CYP3A4 (0.42) CYP3A4TSHRALDH1A1TDP1GFER
SCHEMBL9498462 1.00 CYP3A4 (0.42) CYP3A4TSHRALDH1A1TDP1GFER
SCHEMBL8855721 0.84 TSHR (0.39) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL6670843 0.83 HRH3 (0.48) LOXL2ANPEPERAP2CA12CA1
SCHEMBL6670839 0.83 HRH3 (0.48) LOXL2ANPEPERAP2CA12CA1
SCHEMBL13334533 0.82 TSHR (0.46) CYP3A4TSHRALDH1A1TDP1GFER
SCHEMBL10078239 0.82 IDO1 (0.46) TSHRTP53TAAR1
SCHEMBL14181454 0.82 IDO1 (0.46) TSHRTP53TAAR1
SCHEMBL24311641 0.81 CYP1A2 (0.41) CYP3A4TSHRTP53SLC6A4SLC7A5
SCHEMBL1972358 0.81 TAAR1 (0.40) TSHRTP53CA1CA2CA9

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 31 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
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
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
EP-1232183-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2002-08-21 EP claimed
WO-2001038347-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
EP-1078002-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 2001-02-28 EP claimed
WO-1999061476-A1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LABORATORIES (US) 1999-12-02 WO claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 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-1078002-B1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LAB (US) 2008-05-21 EP 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 (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 CYP3A4 3758/4885TSHR 342/4885ALDH1A1 4350/4885
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 CYP3A4 3758/4885TSHR 342/4885ALDH1A1 4350/4885
US-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 CYP3A4 3505/4885TSHR 1417/4885ALDH1A1 1309/4885

“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.