SCHEMBL2194060

SCHEMBL2194060

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.49
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 2/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP3 P15309 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TACR1 P25103 1/20 0.43
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 1/20 0.41
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2264214 1.00 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL2264219 1.00 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6743982 0.81 CTNNB1 (0.51) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL3681421 0.79 CYP1A2 (0.52) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL10857564 0.79 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6444450 0.79 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL9678479 0.79 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL9676538 0.79 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6446006 0.77 CTNNB1 (0.51) CTNNB1TDP1CYP1A2HPGDMEN1
SCHEMBL6445960 0.76 CTNNB1 (0.46) 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 102 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-1232183-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2002-08-21 EP claimed
US-6297354-B1 USEFUL IN TREATMENT OF DISEASE CONDITIONS WHICH ARE MEDIATED BY REPRODUCTIVE HORMONES, INCLUDING BENIGN PROSTATE HYPERPLASIA, PROSTATE TUMORS, BREAST AND OVARIES TUMORS, CRYPTORCHIDISM, HIRSUITISM, GASTRIC MOTILITY DISORDERS ABBOTT LABORATORIES 2001-10-02 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-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 EP claimed
EP-0145032-B1 LH- RH ANTAGONISTS AKZO N.V. (NL) 1987-11-04 EP claimed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 US claimed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 EP claimed
US-4628044-A LHRH antagonists AKZO N.V. (NL) 1986-12-09 US claimed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 EP claimed
EP-0145032-A1 LH- RH Antagonists AKZO N.V. (NL) 1985-06-19 EP claimed
US-4481190-A LUTEINIZING HORMONE RELEASING HORMONE SYNTEX (U.S.A.) INC. (US) 1984-11-06 US claimed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 EP claimed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 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 (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 4201/4885TDP1 819/4885CYP1A2 3674/4885
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 4201/4885TDP1 819/4885CYP1A2 3674/4885
US-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 CTNNB1 1561/4885TDP1 4342/4885CYP1A2 3515/4885

“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.