SCHEMBL2264768

SCHEMBL2264768

N[C@@H]([C]=O)Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
CHRNA7 P36544 2/20 0.47
CYP2A6 P11509 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HRH1 P35367 2/20 0.42
DPP4 P27487 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
TBXAS1 P24557 2/20 0.41

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
SCHEMBL694048 1.00 FDPS (0.51) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL1696723 1.00 FDPS (0.51) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL6754273 0.82 KIF20A (0.48) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL2928425 0.82 KIF20A (0.48) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL8171229 0.82 FDPS (0.42) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL9770952 0.81 FDPS (0.54) FDPSCHRNA7CYP2A6NAPRTCYP1A2
SCHEMBL9852752 0.79 CYP1A2 (0.59) CYP1A2CYP2D6RECQLCYP3A4CYP2C9
SCHEMBL9395020 0.77 LOXL2 (0.43) CYP1A2CYP2D6CYP3A4CYP2C9HRH1
SCHEMBL1696676 0.77 LOXL2 (0.43) CYP1A2CYP2D6CYP3A4CYP2C9HRH1
SCHEMBL1696678 0.77 LOXL2 (0.43) CYP1A2CYP2D6CYP3A4CYP2C9HRH1

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 113 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
US-6753408-B1 DRUGS USED FOR THERAPY ABBVIE INC. 2004-06-22 US claimed
EP-1232183-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2002-08-21 EP claimed
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP claimed
WO-2001038347-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
US-6191115-B1 PEPTIDES AND POLYPEPTIDES ABBOTT LABORATORIES 2001-02-20 US claimed
WO-2000009544-A1 HEPTAPEPTIDE LHRH ANALOGS ABBOTT LABORATORIES (US) 2000-02-24 WO 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-4851385-A LUTEINIZING HORMONE RELEASING HORMONE INDIANA UNIVERSITY FOUNDATION (US) 1989-07-25 US 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-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-0277829-A2 Nonapeptide and decapeptide analogs of LHRH as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1988-08-10 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
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 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 (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 FDPS 4637/4885CHRNA7 22/4885CYP2A6 3402/4885
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 FDPS 4637/4885CHRNA7 22/4885CYP2A6 3402/4885

“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.