SCHEMBL4577960

SCHEMBL4577960

c1ccc(CC2CC3CCC(C2)N3)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.55
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CCR3 P51677 2/20 0.46

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
SCHEMBL13803960 1.00 GBA1 (0.55) GBA1SLC6A4SLC6A2SLC6A3CCR3
SCHEMBL13791895 1.00 GBA1 (0.55) GBA1SLC6A4SLC6A2SLC6A3CCR3
SCHEMBL12076803 1.00 GBA1 (0.55) GBA1SLC6A4SLC6A2SLC6A3CCR3
SCHEMBL13803916 1.00 GBA1 (0.55) GBA1SLC6A4SLC6A2SLC6A3CCR3
SCHEMBL5456466 0.81 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL5456472 0.81 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL6942011 0.81 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL7001856 0.81 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL13236886 0.80 GBA1 (0.44) GBA1CCR3
Hydrochloric Acid SCHEMBL3884383 0.79 CHRM1 (0.45) SLC6A4SLC6A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
WO-2006130426-A2 MODULATORS OF CCR-5 ACTIVITY KEMIA, INC. (US) 2006-12-07 WO disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
EP-1244450-A4 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-03-19 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed
EP-1244450-A1 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-10-02 EP disclosed
US-6432976-B1 ANALGESICS; SIDE EFFECT REDUCTION MERCK & CO., INC. 2002-08-13 US disclosed
WO-2001032179-A1 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA GBA1 3559/4885SLC6A4 3207/4885SLC6A2 3968/4885
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C GBA1 4362/4885SLC6A4 570/4885SLC6A2 823/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 GBA1 308/4885SLC6A4 3419/4885SLC6A2 2458/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA GBA1 3559/4885SLC6A4 3207/4885SLC6A2 3968/4885

“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.