SCHEMBL396037

SCHEMBL396037

CC(=O)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 1.00
HSD17B3 P37058 1/20 0.71
TSHR P16473 2/20 0.66
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 1/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
SIGMAR1 Q99720 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL29449723 1.00 NOTUM (1.00) NOTUMHSD17B3TSHRALDH1A1HPGD
SCHEMBL29510859 0.89 NOTUM (1.00) NOTUMHSD17B3TSHRALDH1A1HPGD
SCHEMBL709869 0.89 NOTUM (1.00) NOTUMHSD17B3TSHRALDH1A1HPGD
SCHEMBL5423105 0.87 NOTUM (0.90) NOTUMHSD17B3TSHRALDH1A1HPGD
Indoline SCHEMBL17479574 0.85 NOTUM (0.72) NOTUMHSD17B3TSHRALDH1A1HPGD
SCHEMBL29804966 0.84 NOTUM (0.72) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL17117378 0.84 NOTUM (0.72) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL5492978 0.84 SMN1; SMN2 (0.79) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL19240154 0.83 HSD17B3 (1.00) NOTUMHSD17B3TSHRALDH1A1LMNA
SCHEMBL789554 0.82 ALDH1A1 (0.71) NOTUMTSHRALDH1A1HPGDLMNA

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 627 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2025-12-25 US claimed
CN-119735600-A 3-Ureido substituted thieno [2,3-b ] pyridine compound and preparation method and application thereof 华东师范大学 2025-04-01 CN claimed
CN-117105898-A Osthole 7-bit derivative and preparation method and application thereof 遵义医科大学 2023-11-24 CN claimed
CN-116515275-A Chopped glass fiber plastic alloy and preparation method thereof 安徽捷云新材料科技有限公司 2023-08-01 CN claimed
CN-115353478-A Preparation method of indole compound 南京工业大学 2022-11-18 CN claimed
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2022-11-03 US claimed
CN-114853642-A Synthesis method for directly alkylating benzyl position of aromatic compound 西湖大学 2022-08-05 CN claimed
CN-114014793-A 5-substituted indoline derivative or salt thereof, preparation method and application thereof, and preparation method of silodosin 安徽美致诚药业有限公司 2022-02-08 CN claimed
EP-3174932-B1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2021-06-09 EP claimed
CN-108558730-B Synthetic method of 3- (3-oxoalkyl) substituted N-acetyl indoline compound 江苏理工学院 2020-07-28 CN claimed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US claimed
WO-2012082633-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 WO claimed
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US claimed
WO-2011137089-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-11-03 WO claimed
US-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. 2010-09-16 US claimed
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. 2009-04-16 US claimed
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-03-06 US claimed
WO-2004078874-A2 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS POLAROID CORPORATION (US) 2004-09-16 WO claimed
US-20040171817-A1 Novel dye complexes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-02 US claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE PIK3CA, PIK3CD, AKT3 NOTUM 3516/4885HSD17B3 776/4885TSHR 3750/4885
US-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES PIK3CA, PIK3CD, MCL1 NOTUM 4008/4885HSD17B3 785/4885TSHR 4346/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR NOTUM 2550/4885HSD17B3 1109/4885TSHR 3238/4885
US-20220348593-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR NOTUM 2550/4885HSD17B3 1109/4885TSHR 3238/4885
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS DBI, HSPE1, ABCB7 NOTUM 2148/4885HSD17B3 1621/4885TSHR 4584/4885
US-20120157444-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 NOTUM 4390/4885HSD17B3 3160/4885TSHR 901/4885
US-20250388599-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3C2B, PIK3C2A, PIK3R1 NOTUM 4629/4885HSD17B3 1116/4885TSHR 1145/4885

“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.