SCHEMBL2183180

SCHEMBL2183180

COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 2/20 0.64
TP53 P04637 2/20 0.63
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GFER P55789 1/20 0.57
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.56
SMAD3 P84022 1/20 0.56

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
SCHEMBL5069460 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5781007 1.00 POLB (0.68) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5970008 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2584810 0.86 ALDH1A1 (0.62) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14662009 0.85 SMN1; SMN2 (0.65) POLBL3MBTL1HPGDTP53ATM
SCHEMBL843091 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL1263215 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL5390794 0.85 SMN1; SMN2 (0.77) POLBL3MBTL1HPGDTP53ATM
SCHEMBL6646180 0.84 POLB (0.74) POLBL3MBTL1HPGDTP53SMN1; SMN2
SCHEMBL14990930 0.83 BRD4 (0.69) POLBL3MBTL1HPGDSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 POLB 24/4885L3MBTL1 2601/4885HPGD 578/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL POLB 67/4885L3MBTL1 3444/4885HPGD 268/4885

“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.