SCHEMBL4834071

SCHEMBL4834071

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LIPE Q05469 1/20 0.40
KMT2A Q03164 1/20 0.38
PDE2A O00408 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TACR1 P25103 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CHRM4 P08173 1/20 0.37
P2RY1 P47900 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 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 SCHEMBL4834352 0.99 CCR5 (0.42) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4836539 0.90 CCR5 (0.46) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4831064 0.90 CCR5 (0.46) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4830922 0.90 CCR5 (0.46) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4830888 0.89 CCR5 (0.46) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4831014 0.89 ALDH1A1 (0.47) CCR5NPC1LMNAHTTRAB9A
SCHEMBL14197279 0.88 CCR5 (0.48) CCR5LIPEBCHEACHEBACE1
Hydrochloric Acid SCHEMBL4830914 0.88 ALDH1A1 (0.46) CCR5NPC1LMNAHTTRAB9A
SCHEMBL4831033 0.88 UTS2R (0.46) CCR5NPC1LMNAHTTRAB9A
Hydrochloric Acid SCHEMBL4837908 0.88 CCR5 (0.47) CCR5LIPECHRM4

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.