Sugi Predict

Sugi Predict / Compounds / SCHEMBL2852290

SCHEMBL2852290

SCHEMBL2852290

O=C1C2CCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ S1PR1 P21453 1/20 0.49
▸ S1PR5 Q9H228 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ CCR3 P51677 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL21220647 1.00 FUCA1 (0.51) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21238086 1.00 FUCA1 (0.51) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14529645 0.96 ALDH1A1 (0.53) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30875889 0.93 FUCA1 (0.55) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19518531 0.93 FUCA1 (0.55) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20417932 0.93 FUCA1 (0.55) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17560348 0.93 FUCA1 (0.55) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1514852 0.93 FUCA1 (0.55) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
Ethylene SCHEMBL2678737 0.89 FUCA1 (0.51) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2962712 0.89 FUCA1 (0.58) FUCA1S1PR1S1PR5SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592491-B Preparation method of levo-hydrochloric acid demethyl phencynonate 北京兰晟医药科技有限公司 2021-08-17 — — CN claimed
CN-111592491-A Preparation method of levo-hydrochloric acid demethyl phencynonate 北京中元恒康生物科技有限公司 2020-08-28 — — CN claimed
CN-110818704-B Spiro bridged ring compounds, pharmaceutical compositions thereof and uses thereof 广州市恒诺康医药科技有限公司 2023-08-01 — — CN disclosed
US-20220033394-A1 COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. 2022-02-03 — — US disclosed
US-11180455-B2 Compounds for the treatment of pain ALKERMES, INC. 2021-11-23 — — US disclosed
CN-111592491-B Preparation method of levo-hydrochloric acid demethyl phencynonate 北京兰晟医药科技有限公司 2021-08-17 — — CN disclosed
WO-2021158640-A1 CRYSTALLINE FORM OF 3-((1 R,5S,9R)-9-ETHOXY-3-AZABICYCLO[3.3.1]NONAN-9-YL)-BENZAMIDE HYDROCHLORIDE AS MU-OPIOID RECEPTOR (MOR) AGONIST FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-08-12 — — WO disclosed
US-20210238177-A1 CRYSTALLINE FORMS OF 3-((1R,5S,9r)-9-ETHOXY-3-AZABICYCLO[3.3.1]NONAN-9-YL)-BENZAMIDE AND SALT FORMS THEREOF ALKERMES, INC. (US) 2021-08-05 — — US disclosed
WO-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 — — WO disclosed
WO-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 — — WO disclosed
WO-2021026377-A1 LACTAM-CONTAINING COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 — — WO disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 — — US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 — — EP disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 — — WO disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 — — EP disclosed
US-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 — — US disclosed
US-5422354-A Quinuclidine derivatives PFIZER INC (US) 1995-06-06 — — US disclosed
EP-0540526-B1 QUINUCLIDINE DERIVATIVES PFIZER (US) 1994-12-28 — — EP disclosed
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 — — EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 — — WO 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 (4 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-20210238177-A1 CRYSTALLINE FORMS OF 3-((1R,5S,9r)-9-ETHOXY-3-AZABICYCLO[3.3.1]NONAN-9-YL)-BENZAMIDE AND SALT FORMS THEREOF SIGMAR1, GPR139, HTR3D FUCA1 3921/4885ALDH1A1 2468/4885CYP1A2 1928/4885
US-11180455-B2 Compounds for the treatment of pain OPRK1, OPRL1, ACHE FUCA1 1856/4885ALDH1A1 701/4885CYP1A2 2368/4885
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 FUCA1 845/4885ALDH1A1 442/4885CYP1A2 1125/4885
US-20220033394-A1 COMPOUNDS FOR THE TREATMENT OF PAIN OPRK1, OPRL1, ACHE FUCA1 1856/4885ALDH1A1 701/4885CYP1A2 2368/4885

“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.