SCHEMBL13284530

SCHEMBL13284530

CC(=O)Nc1cc(C(C)C)no1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.52
MAPK14 Q16539 1/20 0.52
CA2 P00918 4/20 0.43
CA7 P43166 3/20 0.43
CA1 P00915 2/20 0.43
CA4 P22748 2/20 0.43
CNR2 P34972 1/20 0.42
RPS6KA3 P51812 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL11116702 0.86 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPK14CA2
SCHEMBL3824221 0.85 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2MAPK14CA2
SCHEMBL9891811 0.84 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2MAPK14CNR2
SCHEMBL13284939 0.83 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPK14CA2
SCHEMBL25793259 0.81 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MAPK14CA2
SCHEMBL9893155 0.81 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2MAPK14CNR2
SCHEMBL13015655 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MAPK14CNR2
SCHEMBL1430802 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2CA2CA7CA1
SCHEMBL11116704 0.76 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2MAPK14CNR2
SCHEMBL11735788 0.76 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2MAPK14CNR2

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-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 (4 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 ALDH1A1 4327/4885LMNA 350/4885SMN1; SMN2 3291/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 ALDH1A1 4354/4885LMNA 373/4885SMN1; SMN2 3247/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 ALDH1A1 4542/4885LMNA 334/4885SMN1; SMN2 3670/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 2533/4885LMNA 4475/4885SMN1; SMN2 4609/4885

“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.