SCHEMBL3394539

SCHEMBL3394539

COc1ccc(CN2C(=O)NC3(CCN(C[C@H]4CN(C(=O)CC5CC5)C[C@@H]4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.44
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 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
SCHEMBL3394536 1.00 CCR5 (0.44) CCR5OPRL1ALDH1A1LMNARAB9A
Hydrochloric Acid SCHEMBL3393876 0.99 CCR5 (0.44) CCR5OPRL1ALDH1A1LMNARAB9A
Hydrochloric Acid SCHEMBL3393874 0.99 CCR5 (0.44) CCR5OPRL1ALDH1A1LMNARAB9A
SCHEMBL3394174 0.89 CCR5 (0.49) CCR5OPRL1
SCHEMBL3394176 0.89 CCR5 (0.49) CCR5OPRL1
SCHEMBL3391412 0.89 CCR5 (0.43) CCR5ALDH1A1LMNA
SCHEMBL3391418 0.89 CCR5 (0.43) CCR5ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3393732 0.88 CCR5 (0.49) CCR5OPRL1
Hydrochloric Acid SCHEMBL3393730 0.88 CCR5 (0.49) CCR5OPRL1
SCHEMBL3390270 0.88 CCR5 (0.44) CCR5OPRL1LMNARAB9A

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 83/4885ALDH1A1 846/4885

“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.