SCHEMBL3817645

SCHEMBL3817645

c1ccc(CCC2CNCCN2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
PLG P00747 1/20 0.43
POLB P06746 1/20 0.42
GLB1 P16278 1/20 0.41
GBA2 Q9HCG7 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
SCHEMBL5556878 1.00 LTA4H (0.54) LTA4HPLGPOLBGLB1GBA2
Hydrochloric Acid SCHEMBL8500120 0.98 LTA4H (0.52) LTA4HPLGPOLBGLB1GBA2
SCHEMBL30751260 0.98 LTA4H (0.52) LTA4HPLGPOLBGLB1GBA2
SCHEMBL31714236 0.94 LTA4H (0.49) LTA4HPLGPOLBGLB1GBA2
SCHEMBL31714118 0.92 LTA4H (0.48) LTA4HPLGPOLBGLB1GBA2
SCHEMBL31714157 0.92 LTA4H (0.48) LTA4HPLGPOLBGLB1GBA2
SCHEMBL5562730 0.90 LTA4H (0.51) LTA4HPOLB
SCHEMBL5562739 0.90 LTA4H (0.51) LTA4HPOLB
SCHEMBL5563809 0.88 LTA4H (0.50) LTA4H
Hydrochloric Acid SCHEMBL8501825 0.88 POLB (0.46) LTA4HPLGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156084-A1 Use of N-benzyl piperazine and analogues as quality of life enhancers VALENT BRYANT G (US) 2002-10-24 US claimed
CN-106458987-B For treating the pyrrolidines GPR40 regulator of disease such as diabetes 百时美施贵宝公司 2019-09-24 CN disclosed
CN-108929329-A 2- azacyclo- -5- trifluoromethyl -8- nitro benzo (thio) pyrans -4- ketone compounds 中国医学科学院药物研究所 2018-12-04 CN disclosed
CN-104968654-B Substituted 2-aminopyridine albuminoid kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) 2018-06-01 CN disclosed
CN-107207521-A Substituted bridged urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 CN disclosed
CN-107207496-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱有限责任公司 2017-09-26 CN disclosed
CN-104918935-B dihydropyrazole GPR40 modulators 百时美施贵宝公司 2017-07-28 CN disclosed
CN-105121426-B Pyrrolidine GPR40 regulators 百时美施贵宝公司 2017-03-29 CN disclosed
CN-106458987-A Pyrrolidine GPR40 modulators for the treatment of diseases such as diabetes 百时美施贵宝公司 2017-02-22 CN disclosed
CN-106458976-A Pyrrolidine gpr40 modulators for the treatment of diseases such as diabetes 百时美施贵宝公司 2017-02-22 CN disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 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 (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-20020156084-A1 Use of N-benzyl piperazine and analogues as quality of life enhancers HTR2A, TPH2, TPH1 LTA4H 2467/4885PLG 3167/4885POLB 1260/4885
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 LTA4H 1527/4885PLG 4737/4885POLB 4011/4885
US-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 LTA4H 3505/4885PLG 4730/4885POLB 3288/4885

“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.