SCHEMBL25218643

SCHEMBL25218643

COc1ccc(CC2(O)CCNCC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SIGMAR1 Q99720 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 1/20 0.35
RYR2 Q92736 1/20 0.35
PDK2 Q15119 1/20 0.35
HTR2C P28335 1/20 0.34
P2RX7 Q99572 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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
SCHEMBL26330991 0.81 CYP4F2 (0.40) PPARGPPARA
SCHEMBL31283719 0.78 DRD2 (0.44) TDP1SLC6A2P2RX7
SCHEMBL25387056 0.78 DRD2 (0.44) TDP1SLC6A2P2RX7
SCHEMBL7285603 0.77 ALDH1A1 (0.43) SIGMAR1TDP1SLC6A2HTR3EHTR3B
SCHEMBL25222958 0.76 ALDH1A1 (0.38) PPARGPPARACHRM2GHSR
SCHEMBL5696649 0.75 SIGMAR1 (0.45) SIGMAR1TDP1SLC6A2PDK2HTR2C
SCHEMBL24484657 0.74 DDB1 (0.37) SIGMAR1TDP1HTR2C
SCHEMBL20070157 0.74 RET (0.32) OPRM1
SCHEMBL29971087 0.74 RET (0.32) OPRM1
SCHEMBL4444838 0.73 AOC3 (0.33) TDP1SLC6A2HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
CN-116490186-A Compounds for targeted degradation of RET C4医药公司 2023-07-25 CN disclosed
EP-4192458-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2022032026-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2022-02-10 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 (1 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-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 OPRM1 3380/4885OPRL1 3436/4885SIGMAR1 3512/4885

“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.