SCHEMBL3626856

SCHEMBL3626856

C1CCC2CCCN(CC1)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL4175185 1.00 CHRM5 (0.33) CHRM5ADRA2CCYP1A2CYP2D6MEN1
SCHEMBL7593004 0.97 CYP2D6 (0.32) CYP2D6MEN1KMT2ALMNASLC18A3
SCHEMBL13836053 0.94 CYP2D6 (0.33) CHRM5ADRA2CCYP2D6MEN1KMT2A
SCHEMBL13835555 0.92 CYP2D6 (0.34) CHRM5ADRA2CCYP1A2CYP2D6MEN1
SCHEMBL27729 0.91
SCHEMBL29941024 0.91 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL3399160 0.89
SCHEMBL875158 0.88 CHRNA7 (0.32)
SCHEMBL24409361 0.86
SCHEMBL28564 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10619058-B2 Curable composition TOAGOSEI CO., LTD. (JP) 2020-04-14 US disclosed
US-10611856-B2 Curable composition TOAGOSEI CO., LTD. (JP) 2020-04-07 US disclosed
EP-3133058-B1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD TOAGOSEI CO LTD (JP) 2019-05-29 EP disclosed
US-20180237629-A1 CURABLE COMPOSITION TOAGOSEI CO., LTD. (JP) 2018-08-23 US disclosed
US-10035752-B2 Multifunctional (meth)acrylate manufacturing method TOAGOSEI CO., LTD. (JP) 2018-07-31 US disclosed
US-20180187026-A1 CURABLE COMPOSITION TOAGOSEI CO., LTD. (JP) 2018-07-05 US disclosed
US-20180171038-A1 CURABLE COMPOSITION TOAGOSEI CO., LTD. (JP) 2018-06-21 US disclosed
US-20170204044-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD TOAGOSEI CO., LTD. (JP) 2017-07-20 US disclosed
EP-3133058-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD Toagosei Co., Ltd. (JP) 2017-02-22 EP disclosed
EP-2880033-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2015-06-10 EP disclosed
WO-2012085648-A9 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-03-21 WO disclosed
EP-2554243-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL DEVICE, AND ACIDIC GAS REMOVAL METHOD Kabushiki Kaisha Toshiba (JP) 2013-02-06 EP disclosed
US-20120294785-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL DEVICE, AND ACIDIC GAS REMOVAL METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2012-11-22 US disclosed
WO-2012158844-A1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO., LTD. (JP) 2012-11-22 WO disclosed
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 WO disclosed
EP-2142529-A2 TRPV1 ANTAGONISTS AND USES THEREOF Purdue Pharma LP (US) 2010-01-13 EP disclosed
EP-2076506-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS Purdue Pharma L.P. (US) 2009-07-08 EP disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 WO disclosed
WO-2008089201-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINE AS ORL-1 LIGANDS PURDUE PHARMA L.P. (US) 2008-07-24 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 (6 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-20180171038-A1 CURABLE COMPOSITION KAT2B, ACR, GK CHRM5 1270/4885ADRA2C 3420/4885CYP1A2 4499/4885
US-20180187026-A1 CURABLE COMPOSITION AZI2, KAT2A, KAT2B CHRM5 891/4885ADRA2C 2932/4885CYP1A2 3833/4885
US-10035752-B2 Multifunctional (meth)acrylate manufacturing method MMAB, AMD1, ADH5 CHRM5 1379/4885ADRA2C 4035/4885CYP1A2 609/4885
US-10611856-B2 Curable composition ACR, KAT2B, KAT5 CHRM5 1226/4885ADRA2C 3522/4885CYP1A2 4521/4885
US-20170204044-A1 MULTIFUNCTIONAL (METH)ACRYLATE MANUFACTURING METHOD MMAB, AMD1, ADH5 CHRM5 1379/4885ADRA2C 4035/4885CYP1A2 609/4885
US-10619058-B2 Curable composition ZMYND8, AZI2, KAT2A CHRM5 1231/4885ADRA2C 3274/4885CYP1A2 3885/4885

“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.