SCHEMBL2333846

SCHEMBL2333846

COc1ccccc1C(=O)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)[C@@H](c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.61
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 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
SCHEMBL2333844 1.00 CCR5 (0.61) CCR5KDM4EALDH1A1KCNK3KCNK9
Hydrochloric Acid SCHEMBL2336892 0.99 CCR5 (0.60) CCR5KDM4EALDH1A1KCNK3KCNK9
Hydrochloric Acid SCHEMBL2336889 0.99 CCR5 (0.60) CCR5KDM4EALDH1A1KCNK3KCNK9
SCHEMBL2336661 0.93 CCR5 (0.61) CCR5KDM4EALDH1A1
SCHEMBL14371193 0.93 CCR5 (0.61) CCR5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2340960 0.92 CCR5 (0.61) CCR5KDM4EALDH1A1
SCHEMBL2337967 0.90 CCR5 (0.58) CCR5KDM4EALDH1A1
SCHEMBL14371265 0.90 CCR5 (0.58) CCR5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2338981 0.90 CCR5 (0.57) CCR5KDM4EALDH1A1
SCHEMBL2336061 0.89 CCR5 (0.60) 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
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US claimed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 US claimed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 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-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 CCR5 2/4885KDM4E 4809/4885ALDH1A1 966/4885

“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.