SCHEMBL4828145

SCHEMBL4828145

O=C(N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
UTS2R Q9UKP6 4/20 0.43
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.39
CCR5 P51681 3/20 0.38
LMNA P02545 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37

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 SCHEMBL4830837 0.99 GAA (0.46) GAAROCK2ROCK1UTS2RCYP2C9
SCHEMBL4831032 0.92 UTS2R (0.50) ROCK2ROCK1UTS2RCCR5LMNA
Hydrochloric Acid SCHEMBL4827945 0.91 UTS2R (0.49) ROCK2ROCK1UTS2RCCR5LMNA
SCHEMBL4833341 0.90 GAA (0.44) GAAROCK2ROCK1UTS2RCYP2C9
Hydrochloric Acid SCHEMBL4830841 0.90 GAA (0.44) GAAROCK2ROCK1UTS2RCYP2C9
SCHEMBL4830995 0.90 GAA (0.44) GAAROCK2ROCK1UTS2RCYP2C9
Hydrochloric Acid SCHEMBL4836125 0.89 GAA (0.43) GAAROCK2ROCK1UTS2RCYP2C9
SCHEMBL6418852 0.86 ROCK2 (0.46) ROCK2ROCK1UTS2RCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6416620 0.85 ROCK2 (0.45) ROCK2ROCK1UTS2RCYP2C9CYP2C19
SCHEMBL4836932 0.84 KMT2A (0.43) UTS2RCCR5LMNAHDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US disclosed
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 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-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 GAA 4880/4885ROCK2 3321/4885ROCK1 2323/4885

“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.