SCHEMBL697958

SCHEMBL697958

c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ACHE P22303 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ OPRL1 P41146 1/20 0.42

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
SCHEMBL13992425 1.00 FUCA1 (0.45) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4303371 1.00 FUCA1 (0.45) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1724302 1.00 FUCA1 (0.45) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1983745 1.00 FUCA1 (0.45) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4304653 1.00 FUCA1 (0.45) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2339005 0.98 FUCA1 (0.44) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2348540 0.98 FUCA1 (0.44) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2542931 0.98 FUCA1 (0.44) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17228289 0.95 POLB (0.46) FUCA1CYP1A2CYP3A4CYP2D6CYP2C19
Isopropyl Alcohol SCHEMBL29020804 0.92 GRIN2B (0.44) FUCA1ALDH1A1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907347-A Preparation method of (4aS,7aS) -6-benzyl octahydro-1H-pyrrolo [3,4-b ] pyridine 山东国邦药业有限公司 2022-08-16 — — CN claimed
WO-2014097272-A2 METHOD FOR PRODUCTION OF (S,S)-6-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE, AN INTERMEDIATE OF AZABICYCLO PYRIDINE DERIVATIVES MANKIND RESEARCH CENTRE (IN) 2014-06-26 — — WO claimed
WO-2012131629-A1 A PROCESS FOR PREPARATION OF INTERMEDIATE OF MOXIFLOXACIN PIRAMAL HEALTHCARE LIMITED (IN) 2012-10-04 — — WO claimed
WO-2009125425-A2 IMPROVED PROCESS FOR THE PREPARATION OF (S.S)-2.8-DIAZABICYCLO[4.3.0]NONANE NEULAND LABORATORIES LTD (IN) 2009-10-15 — — WO claimed
EP-1077979-B1 METHOD FOR PRODUCING (S,S)-BENZYL-2,8-DIAZABICYCLO 4.3.0]NONANE BAYER HEALTHCARE AG (DE) 2005-07-06 — — EP claimed
US-6235908-B1 PREPARATION OF TARTRATE BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 — — US claimed
EP-1077979-A1 METHOD FOR PRODUCING (S,S)-BENZYL-2,8-DIAZABICYCLO 4.3.0]NONANE BAYER AG (DE) 2001-02-28 — — EP claimed
WO-1999058532-A1 METHOD FOR PRODUCING (S,S)-BENZYL-2,8-DIAZABICYCLO[4.3.0]NONANE BAYER AKTIENGESELLSCHAFT (DE) 1999-11-18 — — WO claimed
CN-115093409-A Method for synthesizing moxifloxacin side chain by continuous hydrodebenzylation in microreactor 河南新天地药业股份有限公司 2022-09-23 — — CN disclosed
CN-114907347-A Preparation method of (4aS,7aS) -6-benzyl octahydro-1H-pyrrolo [3,4-b ] pyridine 山东国邦药业有限公司 2022-08-16 — — CN disclosed
CN-114907347-A Preparation method of (4aS,7aS) -6-benzyl octahydro-1H-pyrrolo [3,4-b ] pyridine 山东国邦药业有限公司 2022-08-16 — — CN disclosed
CN-114907347-A Preparation method of (4aS,7aS) -6-benzyl octahydro-1H-pyrrolo [3,4-b ] pyridine 山东国邦药业有限公司 2022-08-16 — — CN disclosed
CN-107686852-B Preparation method of moxifloxacin intermediate compound 上海朴颐化学科技有限公司 2022-08-02 — — CN disclosed
US-10370388-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2019-08-06 — — US disclosed
US-5480879-A ANTIBACTERIAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-02 — — US disclosed
US-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 — — US disclosed
EP-0603887-A2 Bicyclic amine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 — — EP disclosed
EP-0592868-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-20 — — EP disclosed
EP-0591808-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-13 — — EP disclosed
EP-0550903-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1993-07-14 — — EP 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 (1 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-10370388-B2 Heterocyclic compounds and methods of their use AGTR2, AGTR1, BDKRB2 FUCA1 4450/4885CYP1A2 1905/4885CYP3A4 3957/4885

“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.

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