SCHEMBL23945815

SCHEMBL23945815

CC(C)CCCCC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 4/20 0.36
LMNA P02545 1/20 0.36
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
SLC6A3 Q01959 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAI1 P63096 2/20 0.33
NMT1 P30419 1/20 0.33
NAMPT P43490 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL12308362 0.94 GNAO1 (0.39) GNAO1HRH3SLC6A4SLC6A2ITGB3
SCHEMBL104444 0.85 GNAO1 (0.37) GNAO1HRH3SLC6A4SLC6A2ITGB3
Hydrochloric Acid SCHEMBL30006594 0.83 GNAO1 (0.40) GNAO1HRH3SLC6A4SLC6A2ITGB3
SCHEMBL28414746 0.82 LMNA (0.42) LMNA
SCHEMBL22168401 0.82 GNAO1 (0.60) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL331124 0.82 HRH3 (0.47) GNAO1HRH3SLC6A4ITGB3ITGA2B
SCHEMBL22168410 0.81 GNAO1 (0.62) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL12110884 0.80 CYP1A2 (0.50) LMNA
SCHEMBL22168413 0.79 GNAO1 (0.54) GNAO1ITGB3ITGA2BGNAI3GNAI1
SCHEMBL8728914 0.79 GNAO1 (0.46) GNAO1HRH3SLC6A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (3 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-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH GNAO1 3036/4885HRH3 956/4885SLC6A4 1991/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GNAO1 2977/4885HRH3 3631/4885SLC6A4 4814/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GNAO1 2977/4885HRH3 3631/4885SLC6A4 4814/4885

“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.