SCHEMBL17099084

SCHEMBL17099084

O=C(CN(Cc1ccncc1)C(=O)c1cnn(C2CCC(C(=O)O)CC2)c1C(F)(F)F)c1c(Cl)cncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.34
NR3C1 P04150 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
HSD11B1 P28845 1/20 0.31
RECQL P46063 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL17099081 1.00 CCR5 (0.34) CCR5NR3C1POLBMAPTALDH1A1
SCHEMBL17098618 0.94 CCR5 (0.38) CCR5NR3C1MAPTALDH1A1SMN1; SMN2
SCHEMBL17098615 0.94 CCR5 (0.38) CCR5NR3C1MAPTALDH1A1SMN1; SMN2
SCHEMBL17097874 0.94 CCR5 (0.33) CCR5ALDH1A1SMN1; SMN2TAS2R14HSD11B1
SCHEMBL17097870 0.94 CCR5 (0.33) CCR5ALDH1A1SMN1; SMN2TAS2R14HSD11B1
SCHEMBL17098647 0.93 TAS2R14 (0.34) CCR5MAPTALDH1A1SMN1; SMN2TAS2R14
SCHEMBL17048997 0.93 TAS2R14 (0.34) CCR5MAPTALDH1A1SMN1; SMN2TAS2R14
SCHEMBL17098334 0.93 CCR5 (0.33) CCR5ALDH1A1SMN1; SMN2TAS2R14HSD11B1
SCHEMBL17097855 0.93 TAS2R14 (0.34) CCR5MAPTALDH1A1SMN1; SMN2TAS2R14
SCHEMBL17098337 0.93 CCR5 (0.33) CCR5ALDH1A1SMN1; SMN2TAS2R14HSD11B1

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 66/4885POLB 4102/4885

“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.