SCHEMBL13617244

SCHEMBL13617244

COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccncc3)CC1)c1cccnc1CO2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.53
▸ CHRM2 P08172 1/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A1 P30531 1/20 0.38
▸ SLC6A12 P48065 1/20 0.38
▸ SLC6A11 P48066 1/20 0.38
▸ TBXA2R P21731 2/20 0.36
▸ HRH1 P35367 5/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12121529 0.95 CCR1 (0.56) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL10287667 0.94 CCR1 (0.54) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL14419980 0.93 CCR1 (0.54) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL15478373 0.93 CCR1 (0.54) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL15478349 0.92 CCR1 (0.52) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7210849 0.92 CCR1 (0.63) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7210846 0.92 CCR1 (0.63) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7206597 0.92 CCR1 (0.53) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL7206591 0.92 CCR1 (0.53) CCR1CHRM2CCR5ALDH1A1LMNA
SCHEMBL14419981 0.92 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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.

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