SCHEMBL2340099

SCHEMBL2340099

COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)c5cccnc5)CC4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.57
CHRM2 P08172 1/20 0.45
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
RIPK1 Q13546 1/20 0.40
KLK7 P49862 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14371207 1.00 CCR5 (0.57) CCR5CHRM2TSHRCYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL2342501 0.99 CCR5 (0.57) CCR5CHRM2TSHRCYP2D6ALDH1A1
SCHEMBL2337399 0.93 CCR5 (0.51) CCR5TSHRCYP2D6ALDH1A1CYP3A4
SCHEMBL2337930 0.93 CCR5 (0.51) CCR5TSHRCYP2D6ALDH1A1CYP3A4
SCHEMBL2335009 0.93 CCR5 (0.53) CCR5TSHRCYP2D6ALDH1A1CYP3A4
SCHEMBL14371210 0.93 CCR5 (0.53) CCR5TSHRCYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL2342316 0.93 CCR5 (0.51) CCR5TSHRCYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL2342313 0.93 CCR5 (0.51) CCR5TSHRCYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL2340791 0.92 CCR5 (0.52) CCR5TSHRCYP2D6ALDH1A1CYP3A4
SCHEMBL2339275 0.90 CCR5 (0.60) CCR5CHRM2ALDH1A1RIPK1KDM4E

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 3 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

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 472/4885TSHR 426/4885

“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.