SCHEMBL3589102

SCHEMBL3589102

[CH2]N(CC)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 2/20 0.48
KCNH2 Q12809 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD1 P21728 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1921570 0.78 CYP2D6 (0.62) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL225860 0.78 CYP2D6 (0.52) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL29390583 0.78 CYP2D6 (0.52) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL2760196 0.77 CYP2D6 (0.55) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL28665181 0.77 KDM4E (0.53) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL9278864 0.76 CYP2D6 (0.42) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL1630012 0.76
Potassium Ion SCHEMBL1369188 0.75 CHRM2 (0.49) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
SCHEMBL38660198 0.75 CHRM2 (0.57) CYP2D6CYP2C19KCNH2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL28388436 0.75 CYP2D6 (0.53) CYP2D6CYP2C19KCNH2CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US disclosed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC CYP2D6 400/4885CYP2C19 195/4885KCNH2 3909/4885
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CYP2D6 1916/4885CYP2C19 1077/4885KCNH2 2253/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CYP2D6 1916/4885CYP2C19 1077/4885KCNH2 2253/4885

“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.