SCHEMBL23327786

SCHEMBL23327786

COc1ccc(F)cc1[C@@]12C[C@@H]1COC2=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 3/20 0.45
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
HTR7 P34969 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CREBBP Q92793 1/20 0.34
PIN1 Q13526 2/20 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
SCHEMBL30433114 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BKDM4ETSHR
SCHEMBL6081106 0.83 CHRM2 (0.39) KDM4EHTR7CHRM4CHRM1
SCHEMBL30704762 0.82 PSEN1 (0.35)
SCHEMBL28474977 0.82 PSEN1 (0.35)
SCHEMBL23327793 0.76 HTR2A (0.43) HTR2AHTR2CHTR2BKDM4ETSHR
SCHEMBL10985710 0.72 CYP3A4 (0.42) KDM4ETSHRSMN1; SMN2
SCHEMBL2482801 0.72 MAOB (0.39)
SCHEMBL2481090 0.72 MAOB (0.39)
SCHEMBL31371272 0.71 KDM1A (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20859649 0.71 KDM1A (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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
CN-111971287-B Macrocyclic compounds as TRK kinase inhibitors 重庆复尚源创医药技术有限公司 2023-06-02 CN disclosed
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors FOCHON BIOSCIENCES, LTD. (CN) 2023-01-17 US disclosed
US-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-05-13 US disclosed
CN-111971287-A Macrocyclic compounds as TRK kinase inhibitors 重庆复创医药研究有限公司 2020-11-20 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 (2 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-20210139506-A1 MACROCYCLIC COMPOUNDS AS TRK KINASES INHIBITORS PLK2, ERBB3, DMPK HTR2A 2430/4885HTR2C 1867/4885HTR2B 2809/4885
US-11555042-B2 Macrocyclic compounds as TRK kinases inhibitors PLK2, ERBB3, DMPK HTR2A 2430/4885HTR2C 1867/4885HTR2B 2809/4885

“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.