SCHEMBL2335009

SCHEMBL2335009

COc1ccc(CN2CCC3(CCN(CC4CN(C(=O)c5ccncc5)CC4c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.53
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 4/20 0.45
LSS P48449 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.42
RIPK1 Q13546 1/20 0.42
CYP2C19 P33261 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
SCHEMBL14371210 1.00 CCR5 (0.53) CCR5CYP3A4TSHRCYP2C9CYP2D6
Hydrochloric Acid SCHEMBL2340791 0.99 CCR5 (0.52) CCR5CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL14371207 0.93 CCR5 (0.57) CCR5CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2340099 0.93 CCR5 (0.57) CCR5CYP3A4TSHRCYP2C9CYP2D6
Hydrochloric Acid SCHEMBL2342501 0.93 CCR5 (0.57) CCR5CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2337399 0.92 CCR5 (0.51) CCR5CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2337930 0.92 CCR5 (0.51) CCR5CYP3A4TSHRCYP2C9CYP2D6
Hydrochloric Acid SCHEMBL2342313 0.92 CCR5 (0.51) CCR5CYP3A4TSHRCYP2C9CYP2D6
Hydrochloric Acid SCHEMBL2342316 0.92 CCR5 (0.51) CCR5CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2338473 0.92 CCR5 (0.52) CCR5CYP3A4TSHRCYP2C9CYP2D6

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 2/4885CYP3A4 1829/4885TSHR 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.