SCHEMBL5401829

SCHEMBL5401829

c1ccc(CN2CCCCC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.51
▸ ACHE P22303 7/20 0.51
▸ BACE1 P56817 7/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KAT2B Q92831 3/20 0.48
▸ ROCK2 O75116 1/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.45
▸ GAA P10253 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
SCHEMBL7814261 0.85 ACSS2 (0.42) CYP1A2CYP3A4CYP2D6KAT2BCHRM2
SCHEMBL7810586 0.85 ACSS2 (0.42) CYP1A2CYP3A4CYP2D6KAT2BCHRM2
SCHEMBL7814203 0.84 CCR1 (0.44) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL7817778 0.84 CYP2D6 (0.42) CYP1A2CYP3A4CYP2D6CHRM2CHRM1
SCHEMBL7814202 0.84 CCR1 (0.44) CYP3A4CYP2D6CHRM2CHRM1CHRM3
SCHEMBL13761638 0.81 ALDH1A1 (0.60) BCHEACHEBACE1CYP1A2CYP3A4
SCHEMBL16386020 0.77 CYP1A2 (0.62) BCHEACHEBACE1CYP1A2CYP3A4
SCHEMBL31014995 0.76 BCHE (0.58) BCHEACHEBACE1CYP1A2CYP3A4
SCHEMBL16083118 0.76 CYP1A2 (0.60) BCHEACHEBACE1CYP1A2CYP3A4
SCHEMBL2730825 0.76 CYP1A2 (0.60) BCHEACHEBACE1CYP1A2CYP3A4

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 BCHE 3653/4885ACHE 4187/4885BACE1 3769/4885

“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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