SCHEMBL6409576

SCHEMBL6409576

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 2/20 0.41
THRB P10828 1/20 0.41
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR2 O43614 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 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
Hydrochloric Acid SCHEMBL6409569 0.99 MAPT (0.51) MAPTROCK2ROCK1POLBALDH1A1
SCHEMBL6409263 0.94 ROCK2 (0.49) MAPTROCK2ROCK1POLBALDH1A1
SCHEMBL6414577 0.93 POLB (0.48) MAPTROCK2ROCK1POLBALDH1A1
Hydrochloric Acid SCHEMBL6409256 0.93 ROCK2 (0.48) MAPTROCK2ROCK1POLBALDH1A1
Hydrochloric Acid SCHEMBL6414565 0.93 POLB (0.47) MAPTROCK2ROCK1POLBALDH1A1
SCHEMBL6412131 0.92 MAPT (0.44) MAPTROCK2ROCK1POLBALDH1A1
SCHEMBL6417321 0.91 ALDH1A1 (0.48) MAPTROCK2ROCK1POLBALDH1A1
Hydrochloric Acid SCHEMBL5252466 0.91 MAPT (0.43) MAPTROCK2ROCK1POLBALDH1A1
Hydrochloric Acid SCHEMBL6417316 0.91 ALDH1A1 (0.47) MAPTROCK2ROCK1POLBALDH1A1
Hydrochloric Acid SCHEMBL6417381 0.90 ROCK2 (0.47) MAPTROCK2ROCK1POLBALDH1A1

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 MAPT 4525/4885ROCK2 1735/4885ROCK1 1002/4885

“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.