SCHEMBL2339660

SCHEMBL2339660

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
APP P05067 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
SCHEMBL14371458 1.00 CCR5 (0.47) CCR5ALDH1A1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL2340365 0.99 CCR5 (0.46) CCR5ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14371457 0.93 CCR5 (0.48) CCR5MEN1KMT2ADRD2HTR2A
SCHEMBL2337381 0.93 CCR5 (0.48) CCR5MEN1KMT2ADRD2HTR2A
Hydrochloric Acid SCHEMBL2337378 0.93 CCR5 (0.47) CCR5MEN1KMT2ADRD2HTR2A
SCHEMBL2334913 0.91 CCR5 (0.47) CCR5ALDH1A1MEN1KMT2APOLB
SCHEMBL2334921 0.91 CCR5 (0.47) CCR5ALDH1A1MEN1KMT2APOLB
SCHEMBL2335409 0.91 CCR5 (0.49) CCR5ALDH1A1MEN1KMT2APOLB
SCHEMBL2335410 0.91 CCR5 (0.49) CCR5ALDH1A1MEN1KMT2APOLB
SCHEMBL2337344 0.90 CCR5 (0.46) CCR5MEN1KMT2APOLBDRD2

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 7 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
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP disclosed
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
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 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 2/4885ALDH1A1 966/4885L3MBTL1 4315/4885

“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.