Sugi Predict

Sugi Predict / Compounds / SCHEMBL2194101

SCHEMBL2194101

SCHEMBL2194101

N[C@@H]([C]=O)Cc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ MC4R P32245 4/20 0.45
▸ MC5R P33032 4/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ MC3R P41968 3/20 0.42
▸ CTSC P53634 1/20 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
SCHEMBL675779 1.00 HTR2A (0.61) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL2266048 1.00 HTR2A (0.61) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL23647058 0.79 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9675617 0.79 HTR2A (0.51) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL9678192 0.79 HTR2A (0.51) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL79728 0.77 EPHX1 (0.56) CYP1A2CYP2A6SLC1A3SLC1A2SLC1A1
SCHEMBL1263137 0.77 EPHX1 (0.56) CYP1A2CYP2A6SLC1A3SLC1A2SLC1A1
SCHEMBL79729 0.77 EPHX1 (0.56) CYP1A2CYP2A6SLC1A3SLC1A2SLC1A1
SCHEMBL2267925 0.76 CYP1A2 (0.44) CYP1A2
SCHEMBL2267928 0.76 CYP1A2 (0.44) CYP1A2

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 206 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
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 — — 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
WO-1986001105-A1 PHARMACEUTICAL COMPOSITION FOR COMBINATION THERAPY OF HORMONE DEPENDENT CANCERS LABRIE FERNAND (CA) 1986-02-27 — — WO 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-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 — — EP 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
EP-0052510-A2 Microencapsulation of water soluble polypeptides SYNTEX (U.S.A.) INC. (US) 1982-05-26 — — EP claimed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 — — EP claimed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 — — US 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 HTR2A 463/4885HTR2C 712/4885HTR2B 596/4885
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 HTR2A 463/4885HTR2C 712/4885HTR2B 596/4885
US-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 HTR2A 1318/4885HTR2C 4190/4885HTR2B 1289/4885

“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.