SCHEMBL4836693

SCHEMBL4836693

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.48
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CASR P41180 1/20 0.42
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL4830834 0.99 CCR5 (0.47) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4837092 0.93 CCR5 (0.54) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4836788 0.93 CCR5 (0.53) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4836594 0.92 CCR5 (0.47) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4836827 0.92 CCR5 (0.47) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4836591 0.91 CCR5 (0.47) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4833551 0.91 CCR5 (0.47) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4833268 0.90 CCR5 (0.49) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4837925 0.90 CCR5 (0.45) CCR5NPC1LMNAHTTRAB9A
SCHEMBL14197244 0.90 CCR5 (0.59) CCR5NPC1LMNAHTTRAB9A

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 CCR5 5/4885NPC1 788/4885LMNA 4228/4885

“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.