SCHEMBL23080928

SCHEMBL23080928

CN1CCC[C@@H](n2ccc3cc(N(C)C)ccc3c2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR6 P50406 5/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ TYK2 P29597 3/20 0.35
▸ GRM1 Q13255 1/20 0.34
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL18283641 0.84 KDM2B (0.37) TMEM97KDM2BGRM4GRM1L3MBTL1
SCHEMBL23080936 0.82 HTR6 (0.38) HTR2BTMEM97HTR6GRM4TYK2
SCHEMBL9922454 0.71 BRD9 (0.45) HTR6CCR4L3MBTL1KDM4EALDH1A1
SCHEMBL31743101 0.71 BRD9 (0.45) HTR6CCR4L3MBTL1KDM4EALDH1A1
SCHEMBL20867825 0.68 BTK (0.39) HTR6TYK2
SCHEMBL20688650 0.68 TMEM97 (0.56) HTR2BTMEM97HTR6TYK2ATM
SCHEMBL23080927 0.67 HTR2B (0.46) HTR2BTMEM97HTR6ALDH1A1
SCHEMBL18284018 0.67 CHRNA7 (0.39) KDM2BGRM4ATML3MBTL1KDM4E
SCHEMBL17185036 0.66 GRM4 (0.43) HTR6GRM4GRM1MAPT
SCHEMBL20688117 0.66 TYK2 (0.51) HTR2BTMEM97HTR6TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HTR2B 3559/4885TMEM97 3589/4885HTR6 3535/4885

“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.

Send feedback