SCHEMBL17098618

SCHEMBL17098618

O=C(CN(Cc1ccccc1)C(=O)c1cnn(C2CCC(C(=O)O)CC2)c1C(F)(F)F)c1c(Cl)cncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.38
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM5 P08912 1/20 0.32
DDR1 Q08345 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
DDR2 Q16832 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
MAP3K2 Q9Y2U5 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
SCHEMBL17098615 1.00 CCR5 (0.38) CCR5NR3C1ALDH1A1KDM4EMEN1
SCHEMBL17097874 0.94 CCR5 (0.33) CCR5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17097870 0.94 CCR5 (0.33) CCR5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17099081 0.94 CCR5 (0.34) CCR5NR3C1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17099084 0.94 CCR5 (0.34) CCR5NR3C1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17099013 0.94 ALDH1A1 (0.37) CCR5ALDH1A1KDM4EMAPTCHRM3
SCHEMBL17099017 0.94 ALDH1A1 (0.37) CCR5ALDH1A1KDM4EMAPTCHRM3
SCHEMBL17048997 0.94 TAS2R14 (0.34) CCR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17097855 0.94 TAS2R14 (0.34) CCR5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17098647 0.94 TAS2R14 (0.34) CCR5ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US claimed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US claimed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CCR5 597/4885NR3C1 66/4885ALDH1A1 923/4885

“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.