Sugi Predict

Sugi Predict / Compounds / SCHEMBL1890751

SCHEMBL1890751

SCHEMBL1890751

COc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.78
▸ SIGMAR1 Q99720 1/20 0.71
▸ HRH3 Q9Y5N1 10/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ CHKA P35790 1/20 0.67
▸ TSHR P16473 1/20 0.65
▸ HRH4 Q9H3N8 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ RAD52 P43351 1/20 0.60

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
Hydrochloric Acid SCHEMBL518538 0.98 PTGIR (0.76) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
SCHEMBL3171551 0.98 PTGIR (0.81) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
SCHEMBL1045927 0.94 PTGIR (0.75) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
SCHEMBL1043090 0.92 SIGMAR1 (0.77) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
SCHEMBL1045386 0.92 SIGMAR1 (0.77) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
Hydrochloric Acid SCHEMBL23850638 0.92 PTGIR (0.73) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA
SCHEMBL1043952 0.90 SIGMAR1 (0.85) PTGIRSIGMAR1SMN1; SMN2CHKAALDH1A1
SCHEMBL20804352 0.90 SIGMAR1 (0.85) PTGIRSIGMAR1SMN1; SMN2CHKAALDH1A1
SCHEMBL19285228 0.90 SIGMAR1 (0.85) PTGIRSIGMAR1SMN1; SMN2CHKAALDH1A1
SCHEMBL30341373 0.89 PTGIR (0.69) PTGIRSIGMAR1HRH3SMN1; SMN2CHKA

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304093-A Piperidone alkaloid and analogues, synthesis method and application thereof 暨南大学 2023-12-29 — — CN claimed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 — — US claimed
CN-114890936-B Synthesis method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2023-10-03 — — CN claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 — — US claimed
CN-114890936-A Synthetic method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2022-08-12 — — CN claimed
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES PURDUE RESEARCH FOUNDATION (US) 2024-02-15 — — US disclosed
CN-117304093-A Piperidone alkaloid and analogues, synthesis method and application thereof 暨南大学 2023-12-29 — — CN disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 — — US disclosed
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 — — US disclosed
CN-114890936-B Synthesis method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2023-10-03 — — CN disclosed
CN-114890936-B Synthesis method of 5, 6-dihydro-2 (1H) -pyridone 南京师范大学 2023-10-03 — — CN disclosed
CN-116694374-A System for synthesizing 5, 6-dihydro-2 (IH) -pyridone based on photo-thermal and zero pollution extraction 常州大学 2023-09-05 — — CN disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 — — US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 — — US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 — — EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 — — WO disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 — — EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 — — WO disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 — — CN 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 (6 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ PTGIR 3368/4885SIGMAR1 2433/4885HRH3 4374/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R PTGIR 638/4885SIGMAR1 1040/4885HRH3 147/4885
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 PTGIR 3445/4885SIGMAR1 3897/4885HRH3 4828/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PTGIR 528/4885SIGMAR1 1170/4885HRH3 1068/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ PTGIR 3368/4885SIGMAR1 2433/4885HRH3 4374/4885
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES MAOB, BCAT2, AADAT PTGIR 2518/4885SIGMAR1 2516/4885HRH3 766/4885

“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.