SCHEMBL3920137

SCHEMBL3920137

CON1CC=CC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL563687 0.70 PSEN1 (0.47) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL22081220 0.62 CCR3 (0.59) ALDH1A1
SCHEMBL914593 0.61 ACHE (0.50) CYP3A4
SCHEMBL914594 0.61 ACHE (0.50) CYP3A4
SCHEMBL914591 0.61 ACHE (0.50) CYP3A4
SCHEMBL1200483 0.60 GBA1 (0.42) ALDH1A1
SCHEMBL2728492 0.60 ALDH1A1 (0.38) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL11041884 0.60 CYP1A2 (0.36) CYP3A4MEN1KMT2ATSHRALDH1A1
SCHEMBL21917636 0.59 SIGMAR1 (0.44) CYP3A4
SCHEMBL21812103 0.59 SIGMAR1 (0.44) CYP3A4

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 11 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
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 (2 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 CYP3A4 74/4885MEN1 1305/4885KMT2A 3710/4885
US-20090318524-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS CYP11B2, CYP11B1, SDHA CYP3A4 74/4885MEN1 1305/4885KMT2A 3710/4885

“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.