SCHEMBL4828107

SCHEMBL4828107

COc1ccc(CN2C(=O)NC3(CCN(CC[C@H](NC(=O)c4ccccc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
UTS2R Q9UKP6 4/20 0.48
CCR5 P51681 6/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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 SCHEMBL4830881 0.99 HDAC6 (0.47) HDAC6UTS2RCCR5ROCK2ROCK1
SCHEMBL4833341 0.92 GAA (0.44) HDAC6UTS2RCCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL4830841 0.92 GAA (0.44) HDAC6UTS2RCCR5ROCK2ROCK1
SCHEMBL4836594 0.92 CCR5 (0.47) HDAC6CCR5NPC1LMNAHTT
SCHEMBL4836827 0.92 CCR5 (0.47) HDAC6CCR5NPC1LMNAHTT
Hydrochloric Acid SCHEMBL4836591 0.91 CCR5 (0.47) HDAC6CCR5NPC1LMNAHTT
Hydrochloric Acid SCHEMBL4833551 0.91 CCR5 (0.47) HDAC6CCR5NPC1LMNAHTT
SCHEMBL14197252 0.90 CCR5 (0.46) HDAC6CCR5NPC1LMNAHTT
SCHEMBL4836693 0.90 CCR5 (0.48) HDAC6CCR5NPC1LMNAHTT
SCHEMBL4836539 0.90 CCR5 (0.46) HDAC6CCR5NPC1LMNAHTT

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 HDAC6 566/4885UTS2R 118/4885CCR5 5/4885

“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.