SCHEMBL3391408

SCHEMBL3391408

CS(=O)(=O)c1ccc(CN2C(=O)NC3(CCN(C[C@H]4CNC[C@@H]4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
DRD2 P14416 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCR2 P41597 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL3391406 1.00 CCR5 (0.46) CCR5KDM1AMAOBKMT2AALDH1A1
SCHEMBL3395072 0.87 CCR5 (0.49) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3395074 0.87 CCR5 (0.49) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3391678 0.86 CCR5 (0.47) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3391680 0.86 CCR5 (0.47) CCR5KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2343279 0.85 CCR5 (0.46) CCR5KDM1AMAOBLMNADRD2
SCHEMBL2338064 0.85 CCR5 (0.46) CCR5KDM1AMAOBLMNADRD2
SCHEMBL2338068 0.85 CCR5 (0.46) CCR5KDM1AMAOBLMNADRD2
SCHEMBL3391721 0.85 CCR5 (0.53) CCR5KDM1AMAOBKMT2AALDH1A1
SCHEMBL3391719 0.85 CCR5 (0.53) CCR5KDM1AMAOBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US claimed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US claimed
US-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2006-01-19 US claimed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2006-01-19 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 (2 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-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR2, CXCR4 CCR5 4/4885KDM1A 4354/4885MAOB 3788/4885
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 CCR5 4/4885KDM1A 4354/4885MAOB 3788/4885

“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.