SCHEMBL1621207

SCHEMBL1621207

CC(C)CC1CCN(CC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL8246654 0.85 SLC6A3 (0.33) PIK3CDSMN1; SMN2KDM4EGRIN2DGRIN3B
SCHEMBL21107430 0.84 PIK3CD (0.43) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL102034 0.82 SMN1; SMN2 (0.41) HRH3SMN1; SMN2ACHE
SCHEMBL1687229 0.82 PIK3CD (0.42) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL803898 0.81 PIK3CD (0.45) PIK3CDHRH3ACHESIGMAR1
SCHEMBL10092708 0.80 ACHE (0.50) ACHESIGMAR1
SCHEMBL12309037 0.80 NCF1 (0.37) KDM4EACHE
SCHEMBL13683795 0.80 PIK3CD (0.44) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL599158 0.80 NCF1 (0.52) PIK3CDHRH3SMN1; SMN2CYP2D6KDM4E
SCHEMBL24508569 0.79 PIK3CD (0.38) PIK3CDHRH3GRIN2DGRIN3BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
WO-2023192586-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-8906909-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2014-12-09 US disclosed
US-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8461157-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-06-11 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 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 (13 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-20140155595-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CD 37/4885HRH3 1994/4885SMN1; SMN2 4184/4885
US-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 PIK3CD 10/4885HRH3 1544/4885SMN1; SMN2 2725/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 PIK3CD 1678/4885HRH3 3548/4885SMN1; SMN2 716/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV PIK3CD 846/4885HRH3 2319/4885SMN1; SMN2 2731/4885
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CD 39/4885HRH3 1964/4885SMN1; SMN2 4192/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS PIK3CD 3395/4885HRH3 4267/4885SMN1; SMN2 3607/4885
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CD 37/4885HRH3 1994/4885SMN1; SMN2 4184/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PIK3CD 321/4885HRH3 3631/4885SMN1; SMN2 2647/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 PIK3CD 2264/4885HRH3 1231/4885SMN1; SMN2 4379/4885
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS PIK3CD 577/4885HRH3 3236/4885SMN1; SMN2 2524/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PIK3CD 321/4885HRH3 3631/4885SMN1; SMN2 2647/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CD 194/4885HRH3 1184/4885SMN1; SMN2 4049/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 PIK3CD 2264/4885HRH3 1231/4885SMN1; SMN2 4379/4885

“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.