SCHEMBL3195397

SCHEMBL3195397

COC(=O)[C@H](c1ccccc1)N1CC=CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
LMNA P02545 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
OPRM1 P35372 1/20 0.63
OPRK1 P41145 1/20 0.63
OPRL1 P41146 1/20 0.63
NPY2R P49146 6/20 0.48
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GAA P10253 1/20 0.42
NR3C2 P08235 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 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
SCHEMBL3195392 1.00 KMT2A (0.68) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL10862008 0.86 KMT2A (0.71) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL7657250 0.83 LMNA (0.94) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL31652566 0.82 KMT2A (0.66) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL31652444 0.82 KMT2A (0.66) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL2789416 0.82 LMNA (0.97) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL1819794 0.82 LMNA (0.97) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL6663882 0.81 KMT2A (0.73) KMT2ALMNAMEN1ALDH1A1OPRM1
Hydrochloric Acid SCHEMBL5606289 0.81 LMNA (1.00) KMT2ALMNAMEN1ALDH1A1OPRM1
SCHEMBL11384579 0.80 LMNA (0.62) KMT2ALMNAMEN1ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029536-B1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS ESTEVE LABOR DR (ES) 2013-08-28 EP disclosed
US-8299113-B2 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-10-30 US disclosed
US-8299113-B2 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-10-30 US disclosed
US-8299113-B2 Bicyclic tetrahydropyrrole compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-10-30 US disclosed
US-20100029738-A1 Bicyclic Tetrahydropyrrole Compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 US disclosed
US-20100029738-A1 Bicyclic Tetrahydropyrrole Compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 US disclosed
US-20100029738-A1 Bicyclic Tetrahydropyrrole Compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 US disclosed
EP-2029536-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-03-04 EP disclosed
WO-2007128458-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
WO-2007128458-A1 BICYCLIC TETRAHYDROPYRROLE COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 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 (1 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-20100029738-A1 Bicyclic Tetrahydropyrrole Compounds CYP11B2, CYP11B1, SDHA KMT2A 3710/4885LMNA 2795/4885MEN1 1305/4885

“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.