SCHEMBL3391696

SCHEMBL3391696

CS(=O)(=O)c1ccc(CN2C(=O)NC3(CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.50
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL3391693 1.00 CCR5 (0.50) CCR5OPRL1OPRM1OPRK1KMT2A
Hydrochloric Acid SCHEMBL3390783 0.99 CCR5 (0.49) CCR5OPRL1OPRM1OPRK1KMT2A
Hydrochloric Acid SCHEMBL3390786 0.99 CCR5 (0.49) CCR5OPRL1OPRM1OPRK1KMT2A
SCHEMBL3387185 0.88 OPRL1 (0.56) CCR5OPRL1OPRM1OPRK1KMT2A
SCHEMBL3387190 0.88 OPRL1 (0.56) CCR5OPRL1OPRM1OPRK1KMT2A
Hydrochloric Acid SCHEMBL3391692 0.87 OPRL1 (0.55) CCR5OPRL1OPRM1OPRK1KMT2A
Hydrochloric Acid SCHEMBL3391698 0.87 OPRL1 (0.55) CCR5OPRL1OPRM1OPRK1KMT2A
SCHEMBL3387158 0.85 CCR5 (0.54) CCR5
SCHEMBL3387164 0.85 CCR5 (0.54) CCR5
Hydrochloric Acid SCHEMBL3391810 0.85 CCR5 (0.53) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 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-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

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-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 CCR5 4/4885OPRL1 83/4885OPRM1 182/4885

“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.