SCHEMBL7205528

SCHEMBL7205528

COc1ccc2c(c1)C(=CCCN1CCC(C#N)(c3ccccc3)CC1)c1cccnc1CO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.49
CHRM2 P08172 1/20 0.44
CCR5 P51681 1/20 0.44
KMT2A Q03164 1/20 0.39
OPRD1 P41143 1/20 0.38
TBXA2R P21731 2/20 0.37
OPRM1 P35372 2/20 0.37
HRH1 P35367 3/20 0.36
OPRL1 P41146 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL7205522 1.00 CCR1 (0.49) CCR1CHRM2CCR5KMT2AOPRD1
SCHEMBL10287667 0.89 CCR1 (0.54) CCR1CHRM2CCR5KMT2AOPRD1
SCHEMBL14580303 0.89 CCR1 (0.48) CCR1CHRM2CCR5OPRD1OPRM1
SCHEMBL10287860 0.87 CCR1 (0.50) CCR1CHRM2CCR5KMT2ATBXA2R
SCHEMBL14420182 0.87 CCR1 (0.50) CCR1CHRM2CCR5KMT2ATBXA2R
SCHEMBL13824391 0.85 CCR1 (0.49) CCR1CHRM2CCR5OPRD1TBXA2R
SCHEMBL10287858 0.85 CCR1 (0.49) CCR1CHRM2CCR5OPRD1TBXA2R
SCHEMBL12121518 0.85 CCR1 (0.52) CCR1CHRM2CCR5KMT2AOPRD1
SCHEMBL14419979 0.85 CCR1 (0.52) CCR1CHRM2CCR5KMT2AOPRD1
SCHEMBL12121529 0.85 CCR1 (0.56) CCR1CHRM2CCR5KMT2ATBXA2R

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
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885CHRM2 1772/4885CCR5 6/4885

“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.