SCHEMBL26622809

SCHEMBL26622809

CCOC(=O)C1(c2ccc(Cl)cc2)CC(F)(F)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.61
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL14894296 0.85 OPRM1 (0.64) OPRM1CHRM2CHRM1SLC6A4
SCHEMBL20703420 0.83 HDAC4 (0.44) OPRM1CHRM2CHRM1DRD2DRD4
SCHEMBL5860380 0.82 OPRM1 (0.64) OPRM1CHRM2CHRM1MEN1KMT2A
SCHEMBL5861402 0.82 OPRM1 (0.72) OPRM1CHRM2CHRM1MEN1KMT2A
SCHEMBL24608752 0.82 OPRM1 (0.64) OPRM1CHRM2CHRM1MEN1KMT2A
SCHEMBL4873297 0.78 OPRM1 (0.74) OPRM1CHRM2CHRM1DRD2DRD4
SCHEMBL990390 0.76 TET3 (0.48) KMT2AALDH1A1
SCHEMBL24987999 0.76 HTT (0.51) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL22629811 0.75 OPRM1 (0.45) OPRM1GAAALDH1A1MAPTSLC22A1
SCHEMBL24220122 0.72 OPRM1 (0.76) OPRM1ALDH1A1SLC22A1SLC6A4ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN 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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA OPRM1 3437/4885CHRM2 4242/4885CHRM1 4223/4885

“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.