SCHEMBL5412926

SCHEMBL5412926

Cc1c(NC2CC3CCC(C2)N3Cc2ccccc2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.46
▸ ARHGDIA P52565 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ OPRK1 P41145 3/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL5409094 0.73 ROCK2 (0.76) ROCK2ARHGDIAROCK1OPRK1JAK1
SCHEMBL21230708 0.72 CYP4F2 (0.46) ALDH1A1PDE1APDE1BPDE1CRXRA
SCHEMBL786099 0.71 RXRA (0.45) ALDH1A1PDE1APDE1BPDE1CRXRA
SCHEMBL25292896 0.71 NPC1 (0.44) ALDH1A1PDE1APDE1BPDE1CRXRA
SCHEMBL30305330 0.71 NPC1 (0.44) ALDH1A1PDE1APDE1BPDE1CRXRA
SCHEMBL5405712 0.70 RXRA (0.35) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL5405715 0.70 RXRA (0.35) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL5405719 0.70 RXRA (0.35) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL767841 0.70 RXRA (0.43) ALDH1A1PDE1APDE1BPDE1CRXRA
SCHEMBL5409241 0.70 ALDH1A1 (0.45) ALDH1A1PDE1APDE1BPDE1CRXRA

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 ROCK2 2/4885ARHGDIA 3/4885ROCK1 1/4885

“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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