SCHEMBL4833322

SCHEMBL4833322

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.43
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
FPR2 P25090 2/20 0.37
MCHR1 Q99705 1/20 0.37
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4833330 1.00 CCR5 (0.43) CCR5KMT2ALMNANPC1HTT
Hydrochloric Acid SCHEMBL4830989 0.99 CCR5 (0.42) CCR5KMT2ALMNANPC1HTT
Hydrochloric Acid SCHEMBL4830983 0.99 CCR5 (0.42) CCR5KMT2ALMNANPC1HTT
SCHEMBL4831033 0.92 UTS2R (0.46) CCR5KMT2ALMNANPC1HTT
Hydrochloric Acid SCHEMBL4827907 0.91 UTS2R (0.45) CCR5KMT2ALMNANPC1HTT
SCHEMBL4831014 0.91 ALDH1A1 (0.47) CCR5KMT2ALMNANPC1HTT
SCHEMBL4836932 0.91 KMT2A (0.43) CCR5KMT2ALMNANPC1HTT
Hydrochloric Acid SCHEMBL4830914 0.91 ALDH1A1 (0.46) CCR5KMT2ALMNANPC1HTT
Hydrochloric Acid SCHEMBL4836642 0.90 KMT2A (0.42) CCR5KMT2ALMNANPC1HTT
SCHEMBL4836539 0.90 CCR5 (0.46) CCR5KMT2ALMNANPC1HTT

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 6 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
EP-1786816-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-05-23 EP disclosed
WO-2005023810-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-03-17 WO 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 5/4885KMT2A 4243/4885LMNA 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.