SCHEMBL13617088

SCHEMBL13617088

CC(C)(N=O)c1ccc2c(c1)/C(=C/CCN1CCC(Oc3ccc(C(F)(F)F)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.48
▸ CHRM2 P08172 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ HTR1A P08908 5/20 0.36
▸ SIGMAR1 Q99720 2/20 0.34
▸ KCNK2 O95069 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL656475 0.91 CCR1 (0.57) CCR1CHRM2CCR5HTR1ASIGMAR1
SCHEMBL656474 0.91 CCR1 (0.57) CCR1CHRM2CCR5HTR1ASIGMAR1
SCHEMBL12936661 0.86 CCR1 (0.56) CCR1CHRM2CCR5HTR1ASIGMAR1
SCHEMBL12121954 0.85 CCR1 (0.55) CCR1CHRM2CCR5SIGMAR1KCNK2
SCHEMBL651786 0.78 CCR1 (0.60) CCR1CHRM2CCR5HTR1ASIGMAR1
SCHEMBL651785 0.78 CCR1 (0.60) CCR1CHRM2CCR5HTR1ASIGMAR1
SCHEMBL10287672 0.77 CCR1 (0.63) CCR1CHRM2CCR5HRH1
SCHEMBL12121948 0.76 CCR1 (0.68) CCR1CHRM2CCR5SIGMAR1KCNK2
SCHEMBL15478357 0.76 CCR1 (0.63) CCR1CHRM2CCR5SIGMAR1KCNK2
SCHEMBL14419981 0.75 CCR1 (0.57) CCR1CHRM2CCR5HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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