SCHEMBL3914022

SCHEMBL3914022

CC(c1ccccc1)N1CC=CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.68
MC4R P32245 1/20 0.59
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
ALDH1A1 P00352 4/20 0.44
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 5/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 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
SCHEMBL2792997 1.00 CYP2D6 (0.68) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL8445058 0.86 CYP2D6 (0.62) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL6706135 0.81 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL7264542 0.81 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL5355369 0.81 CYP2D6 (0.74) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL16226061 0.81 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL23850144 0.77 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL16306975 0.77 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL8983562 0.77 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL8983627 0.77 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029537-B1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
US-9271959-B2 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-03-01 US disclosed
US-20130072456-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 US disclosed
US-8372990-B2 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2013-02-12 US disclosed
US-20090318524-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-12-24 US disclosed
US-20090306403-A1 Production Process for Bicyclic Tetrahydropyrrole Compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-12-10 US disclosed
EP-2076493-A1 PRODUCTION PROCESS FOR BICYCLIC TETRAHYDROPYRROLE COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-08 EP disclosed
EP-2029537-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS Laboratorios del Dr. Esteve S.A. (ES) 2009-03-04 EP disclosed
WO-2007128459-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
WO-2007128457-A1 PRODUCTION PROCESS FOR BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
EP-1849772-A1 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-31 EP disclosed
EP-1849770-A1 Production process for bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-31 EP 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-20130072456-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS CYP11B2, CYP11B1, SDHA CYP2D6 17/4885MC4R 124/4885OPRM1 99/4885
US-20090306403-A1 Production Process for Bicyclic Tetrahydropyrrole Compounds DHPS, PAH, CYP2C19 CYP2D6 7/4885MC4R 521/4885OPRM1 1977/4885
US-20090318524-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS CYP11B2, CYP11B1, SDHA CYP2D6 17/4885MC4R 124/4885OPRM1 99/4885

“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.