SCHEMBL224261

SCHEMBL224261

CC(C)(C)[Si](C)(C)OCC(=O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CYP19A1 P11511 1/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
EPHX2 P34913 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ESRRG P62508 1/20 0.35
PARP10 Q53GL7 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
SCHEMBL12970762 0.87 PARP10 (0.41) EPHX2MAPTALDH1A1PARP10MEN1
SCHEMBL31201635 0.85 NPC1 (0.47) LMNATSHRNPC1MAPTRAB9A
SCHEMBL19581035 0.84 LMNA (0.48) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3100978 0.84 LMNA (0.45) LMNAADRB2ADRB1ADRB3TSHR
SCHEMBL1712501 0.83 NPC1 (0.45) LMNACYP1A2CYP3A4TSHRCYP2C9
SCHEMBL25081054 0.80 GSR (0.47) EPHX2NPC1NR1H4
SCHEMBL8282767 0.80 HDAC1 (0.43) LMNATSHRNPC1MAPTRAB9A
SCHEMBL223490 0.79 MAPT (0.52) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL15496340 0.78 ALDH1A1 (0.49) TSHRNPC1RAB9AALDH1A1MEN1
SCHEMBL30968940 0.77 CES2 (0.43) MAOARAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 LMNA 3002/4885CYP1A2 730/4885CYP3A4 740/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X LMNA 1998/4885CYP1A2 852/4885CYP3A4 1135/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 LMNA 3002/4885CYP1A2 730/4885CYP3A4 740/4885

“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.