SCHEMBL12531332

SCHEMBL12531332

Cc1ccc([C@H](c2ccc([123I])cc2)N2CCN(C3(C)CCN(C(=O)c4c(C)ncnc4C)CC3)C[C@@H]2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.68
▸ CHRM2 P08172 14/20 0.68
▸ CHRM1 P11229 4/20 0.65
▸ CHRM3 P20309 2/20 0.65

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
SCHEMBL12542219 0.90 CCR5 (0.81) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531292 0.88 CCR5 (0.86) CCR5CHRM2CHRM1CHRM3
SCHEMBL410793 0.86 CCR5 (0.83) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531415 0.84 CCR5 (0.74) CCR5CHRM2CHRM1CHRM3
SCHEMBL16503427 0.83 CCR5 (0.84) CCR5CHRM2CHRM1CHRM3
SCHEMBL18541410 0.82 CCR5 (0.73) CCR5CHRM2CHRM1CHRM3
SCHEMBL12420339 0.82 CCR5 (0.73) CCR5CHRM2CHRM1CHRM3
SCHEMBL5076337 0.79 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL14529305 0.79 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL5076339 0.79 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3

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-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 — — US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 — — US disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 — — 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 (3 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-20110129419-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 CCR5 1/4885CHRM2 1260/4885CHRM1 1805/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 CCR5 1/4885CHRM2 1260/4885CHRM1 1805/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 CCR5 1/4885CHRM2 1260/4885CHRM1 1805/4885

“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.

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