SCHEMBL22790692

SCHEMBL22790692

CCN1CCC(CCNC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HSD11B1 P28845 1/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 1/20 0.35
EPHX1 P07099 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL17036641 0.89 SLC6A4 (0.32) HRH3HSD11B1SLC6A4SLC6A3SMN1; SMN2
SCHEMBL25123272 0.88 SIGMAR1 (0.40) HRH3HSD11B1SMN1; SMN2EPHX1SIGMAR1
SCHEMBL24764898 0.86 GNAO1 (0.40) SLC6A4SLC6A3EPHX1
SCHEMBL22848538 0.84 CHRM4 (0.38) HRH3SLC6A4SLC6A3CHRM4SIGMAR1
SCHEMBL17250047 0.81 NCF1 (0.43) HRH3SIGMAR1
SCHEMBL23696790 0.81
SCHEMBL23560045 0.81 EPHX1 (0.41) HRH3HSD11B1SMN1; SMN2EPHX1SIGMAR1
SCHEMBL8396257 0.80
SCHEMBL17702046 0.79 HRH3 (0.42) HRH3SLC6A4SLC6A3SIGMAR1
SCHEMBL23806161 0.79 SIGMAR1 (0.35) HRH3SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021011634-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2020251969-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO 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-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD HRH3 3874/4885HSD11B1 975/4885SLC6A4 4490/4885
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885HSD11B1 2834/4885SLC6A4 4814/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885HSD11B1 2834/4885SLC6A4 4814/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885HSD11B1 2834/4885SLC6A4 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.