SCHEMBL19728673

SCHEMBL19728673

CC(C)C(=O)Nc1ccc(C(C)C)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.54
RAB9A P51151 8/20 0.52
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 6/20 0.52
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
FFAR2 O15552 1/20 0.48
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
HDAC1 Q13547 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL27211111 0.87 DEGS1 (0.51) DEGS1RAB9AALDH1A1NPC1TP53
SCHEMBL23270830 0.84 DEGS1 (0.55) DEGS1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL32666863 0.84 PTK2 (0.59) DEGS1RAB9ANPC1LMNAKDM4E
SCHEMBL5555378 0.84 PTK2 (0.59) DEGS1RAB9ANPC1LMNAKDM4E
SCHEMBL19736142 0.84 L3MBTL1 (0.55) DEGS1NPC1KDM4ESMN1; SMN2FFAR2
SCHEMBL2054674 0.81 DEGS1 (0.52) DEGS1RAB9AALDH1A1NPC1LMNA
SCHEMBL23139476 0.81 DEGS1 (0.52) DEGS1RAB9AALDH1A1NPC1LMNA
SCHEMBL9891790 0.81 RAB9A (0.68) RAB9AALDH1A1NPC1TP53LMNA
SCHEMBL9888659 0.80 DEGS1 (0.51) DEGS1RAB9AALDH1A1NPC1TP53
SCHEMBL29376899 0.80 DEGS1 (0.51) DEGS1RAB9ANPC1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR DEGS1 2793/4885RAB9A 1375/4885ALDH1A1 4541/4885
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R DEGS1 3538/4885RAB9A 793/4885ALDH1A1 3655/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DEGS1 4276/4885RAB9A 1227/4885ALDH1A1 1067/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E DEGS1 4151/4885RAB9A 83/4885ALDH1A1 4720/4885

“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.