SCHEMBL14916972

SCHEMBL14916972

CC(C)(C)[C@H]1CCC(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DDB1 Q16531 6/20 0.32
CRBN Q96SW2 6/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7946755 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNATDP1DDB1
SCHEMBL11917928 1.00 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNATDP1DDB1
SCHEMBL8250045 0.86 CRBN (0.33) CRBN
SCHEMBL7621561 0.85 CA1 (0.35) ALDH1A1CRBNKMT2A
SCHEMBL18686236 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL20213478 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNATDP1DDB1
SCHEMBL16097469 0.82 LMNA (0.37) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL16097473 0.82 LMNA (0.37) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL18943659 0.82 LMNA (0.34) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL14415910 0.79 LMNA (0.33) ALDH1A1SMN1; SMN2LMNACRBN

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-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 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-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION TIMCC, CYCS, CTRC ALDH1A1 4430/4885SMN1; SMN2 3976/4885LMNA 2114/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 ALDH1A1 2981/4885SMN1; SMN2 4831/4885LMNA 2922/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 ALDH1A1 2192/4885SMN1; SMN2 4789/4885LMNA 2947/4885

“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.