SCHEMBL3310770

SCHEMBL3310770

CCCCOC(=O)N1CC2OC2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GBA2 Q9HCG7 1/20 0.41
ATM Q13315 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
NAAA Q02083 1/20 0.39
TSHR P16473 2/20 0.38
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
PPP5C P53041 1/20 0.37
BCHE P06276 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27482014 0.89 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL26261362 0.83 TSHR (0.50) SMN1; SMN2POLBALDH1A1ATMTSHR
SCHEMBL3652718 0.82 LMNA (0.56) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL20912047 0.82 POLB (0.56) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL18498621 0.82 LMNA (0.56) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL1633241 0.82 LMNA (0.56) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL19308675 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL31629521 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL3333110 0.81 LMNA (0.54) SMN1; SMN2LMNAPOLBHPGDALDH1A1
SCHEMBL6627450 0.81 LMNA (0.54) SMN1; SMN2LMNAPOLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
CN-1232399-A Cysteine protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
WO-1993003026-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1993-02-18 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD SMN1; SMN2 2237/4885LMNA 3711/4885POLB 1082/4885

“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.