SCHEMBL3620540

SCHEMBL3620540

CC1(C)CCC(=O)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.30

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
SCHEMBL38953 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1
Iodide SCHEMBL11830139 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Water SCHEMBL4837114 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL10892597 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL27484151 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL29829697 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5218604 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Water SCHEMBL7733637 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL20704047 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1
Ethylene SCHEMBL6311271 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1

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
US-9676686-B2 Liquid crystal composition containing nitrogen-containing cyclic compound and liquid crystal display device JNC CORPORATION (JP) 2017-06-13 US disclosed
US-9676686-B2 Liquid crystal composition containing nitrogen-containing cyclic compound and liquid crystal display device JNC CORPORATION (JP) 2017-06-13 US disclosed
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-07-21 US disclosed
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-07-21 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
EP-2069347-A2 NOVEL INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-06-17 EP disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 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 (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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 SMN1; SMN2 3397/4885ALDH1A1 796/4885MAPK1 3643/4885
US-20160208172-A1 LIQUID CRYSTAL COMPOSITION CONTAINING NITROGEN-CONTAINING CYCLIC COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CCND2, ROCK2, CCND1 SMN1; SMN2 3119/4885ALDH1A1 3985/4885MAPK1 1098/4885

“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.