SCHEMBL2340029

SCHEMBL2340029

O=C(c1cccnc1)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)[C@@H](c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.60
CHRM2 P08172 1/20 0.47
RIPK1 Q13546 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL2339275 1.00 CCR5 (0.60) CCR5CHRM2RIPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2337830 0.99 CCR5 (0.59) CCR5CHRM2RIPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2337831 0.99 CCR5 (0.59) CCR5CHRM2RIPK1KDM4EALDH1A1
SCHEMBL2339380 0.93 CCR5 (0.50) CCR5RIPK1
SCHEMBL14371065 0.93 CCR5 (0.50) CCR5RIPK1
SCHEMBL2338626 0.93 CCR5 (0.56) CCR5RIPK1
SCHEMBL14371024 0.93 CCR5 (0.56) CCR5RIPK1
Hydrochloric Acid SCHEMBL2343459 0.92 CCR5 (0.49) CCR5RIPK1
Hydrochloric Acid SCHEMBL2334551 0.92 CCR5 (0.55) CCR5RIPK1
SCHEMBL2340099 0.90 CCR5 (0.57) CCR5CHRM2RIPK1KDM4EALDH1A1

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 2/4885CHRM2 472/4885RIPK1 1512/4885

“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.