SCHEMBL12121693

SCHEMBL12121693

C=C1COc2ccc(C(=C)OC3CCCC3)cc2C(=C/CCN2CCC(N)(c3ccc(Cl)cc3)CC2)/C1=C/C=C\C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HRH1 P35367 2/20 0.32

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
SCHEMBL14579853 0.93 CCR1 (0.37) CCR1CHRM2CCR5HRH1
SCHEMBL13824278 0.83 CCR1 (0.38) CCR1CHRM2CCR5
SCHEMBL13824271 0.81 CCR1 (0.38) CCR1CHRM2CCR5HRH1
SCHEMBL12121744 0.79 DRD2 (0.39) CCR1CHRM2CCR5HRH1
SCHEMBL13824486 0.79 CCR1 (0.39) CCR1CHRM2CCR5HRH1
SCHEMBL10287597 0.78 CCR1 (0.36) CCR1CHRM2CCR5
SCHEMBL12121691 0.76 CCR1 (0.41) CCR1HRH1
SCHEMBL15357305 0.76 CCR1 (0.52) CCR1CHRM2CCR5HRH1
SCHEMBL13824277 0.75 CCR1 (0.40) CCR1HRH1
SCHEMBL14420162 0.75 CCR1 (0.54) CCR1CHRM2HRH1

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-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

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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