SCHEMBL5422058

SCHEMBL5422058

CCCN1C2CCC1CC(N(C(C)=O)c1ccc3c(cnn3C3CCCCO3)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ HPGD P15428 1/20 0.34
▸ HTR2A P28223 5/20 0.34
▸ HTR7 P34969 5/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATR Q13535 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
SCHEMBL5404335 0.85 RXRA (0.43) RXRARXRBRXRGHPGDHTR2A
SCHEMBL5417212 0.79 RXRA (0.47) RXRARXRBRXRGHPGDHTR2A
SCHEMBL5416884 0.74 ROCK2 (0.40) —
SCHEMBL30672087 0.71 RXRA (0.60) RXRARXRBRXRGL3MBTL1KDM2B
SCHEMBL1211207 0.71 RXRA (0.60) RXRARXRBRXRGL3MBTL1KDM2B
SCHEMBL10231494 0.70 RXRA (0.64) RXRARXRBRXRGSMN1; SMN2CYP4F2
SCHEMBL29518728 0.69 RXRA (0.65) RXRARXRBRXRGL3MBTL1CYP4F2
SCHEMBL20271725 0.69 RXRA (0.65) RXRARXRBRXRGL3MBTL1CYP4F2
SCHEMBL770688 0.69 RXRA (0.58) RXRARXRBRXRGKDM4ESMN1; SMN2
SCHEMBL29926106 0.69 RXRA (0.61) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA RXRA 1096/4885RXRB 1324/4885RXRG 1147/4885

“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.

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