SCHEMBL16312643

SCHEMBL16312643

CNC(=O)COc1ccc2c(c1)/C(=C/CCN1CCC3(CC1)OCc1cc(Cl)ccc13)c1cccnc1CO2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.48
▸ CHRM2 P08172 1/20 0.46
▸ CCR5 P51681 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.40
▸ HRH1 P35367 5/20 0.34
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ AVPR1A P37288 3/20 0.33
▸ TBXA2R P21731 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ KCNH2 Q12809 1/20 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
SCHEMBL13824432 0.92 CCR1 (0.48) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL15478312 0.91 CCR1 (0.48) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL14419972 0.90 CCR1 (0.47) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL15478348 0.90 CCR1 (0.50) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL12121845 0.89 CCR1 (0.51) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL10287557 0.88 CCR1 (0.49) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL13824434 0.88 CCR1 (0.48) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL14579627 0.88 CCR1 (0.49) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL14420122 0.88 CCR1 (0.49) CCR1CHRM2CCR5S1PR5HRH1
SCHEMBL13824440 0.88 CCR1 (0.52) CCR1CHRM2CCR5S1PR5HRH1

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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 — — US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 — — 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 (2 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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885

“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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