SCHEMBL12464449

SCHEMBL12464449

CCN1CCC(N(C)CC)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL12309781 0.87 NOS3 (0.36) NOS3NOS1NOS2SMN1; SMN2HRH3
SCHEMBL23572092 0.83 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL22856336 0.83 SLC6A4 (0.35) NOS3NOS1NOS2SMN1; SMN2MCHR1
SCHEMBL23807033 0.83 NOS3 (0.42) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL684682 0.81 SMN1; SMN2 (0.43) NOS3NOS1NOS2SMN1; SMN2HRH3
SCHEMBL23559965 0.79 PIK3CD (0.37) NOS3NOS1NOS2SMN1; SMN2HRH3
SCHEMBL14344871 0.79 SLC18A3 (0.40) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL23806208 0.79 PIK3CD (0.53) NOS3NOS1NOS2SMN1; SMN2KDM4E
SCHEMBL22848993 0.79 NOS3 (0.48) NOS3NOS1NOS2
SCHEMBL20332381 0.79 NOS3 (0.40) NOS3NOS1NOS2SMN1; SMN2HRH3

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-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 WO disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 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 (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-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF MDM2, CUL1, PSMG3 NOS3 4447/4885NOS1 4237/4885NOS2 4373/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B NOS3 3241/4885NOS1 2739/4885NOS2 3816/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 NOS3 3567/4885NOS1 4199/4885NOS2 4209/4885

“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.