SCHEMBL2114892

SCHEMBL2114892

c1ccc(CN2CC3OC3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.58
SIGMAR1 Q99720 1/20 0.56
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
GBA1 P04062 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL11337025 1.00 FUCA1 (0.58) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL11337029 1.00 FUCA1 (0.58) FUCA1SIGMAR1S1PR1S1PR5DRD2
Oxalic Acid SCHEMBL10839785 0.91 S1PR5 (0.55) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL2180441 0.87 ACHE (0.54) SIGMAR1DRD2DRD3ALDH1A1ACHE
SCHEMBL21812106 0.86 SIGMAR1 (0.50) FUCA1SIGMAR1ALDH1A1ACHECYP1A2
SCHEMBL16908647 0.85 FUCA1 (0.51) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL10979574 0.82 SIGMAR1 (0.55) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL10980746 0.82 SIGMAR1 (0.55) FUCA1SIGMAR1S1PR1S1PR5DRD2
SCHEMBL3107774 0.82 ALDH1A1 (0.52) SIGMAR1S1PR5ALDH1A1TDP1ACHE
SCHEMBL30881344 0.81 FUCA1 (0.47) FUCA1SIGMAR1S1PR1S1PR5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4230718-A CATARACT PREVENTION IN DIABETIC ANIMALS; CHEMICAL INTERMEDIATES A. H. ROBINS COMPANY, INC. (US) 1980-10-28 US claimed
CN-113307757-B Preparation method of medical intermediate N-benzyl-3-pyrroline 南京德克瑞医药化工有限公司 2022-04-29 CN disclosed
EP-3164403-B1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE LABOR DR (ES) 2018-08-29 EP disclosed
US-10035805-B2 Tricyclic triazolic compounds ESTEVE PHARMACEUTECALS, S.A. (ES) 2018-07-31 US disclosed
US-20170313710-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-11-02 US disclosed
EP-3164403-A1 TRICYCLIC TRIAZOLIC COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-05-10 EP disclosed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
WO-2016001345-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-01-07 WO disclosed
EP-2963041-A1 Tricyclic triazolic compounds Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-01-06 EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 WO disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 EP disclosed
US-4585785-A HYPOTENSIVES, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1986-04-29 US disclosed
US-4452809-A ANTIARRHYMIA, HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1984-06-05 US disclosed
US-4254135-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1981-03-03 US disclosed
US-4251541-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1981-02-17 US 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 (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-20170313710-A1 TRICYCLIC TRIAZOLIC COMPOUNDS SIGMAR1, OPRK1, OPRM1 FUCA1 4543/4885SIGMAR1 1/4885S1PR1 502/4885
US-10035805-B2 Tricyclic triazolic compounds SIGMAR1, OPRK1, OPRM1 FUCA1 4543/4885SIGMAR1 1/4885S1PR1 502/4885

“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.