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
SCHEMBL5555378 0.84 PTK2 (0.59) DEGS1RAB9ANPC1LMNAKDM4E
SCHEMBL23270830 0.84 DEGS1 (0.55) DEGS1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL32666863 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
SCHEMBL29376899 0.80 DEGS1 (0.51) DEGS1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL9888659 0.80 DEGS1 (0.51) DEGS1RAB9AALDH1A1NPC1TP53

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.

Send feedback