SCHEMBL17099013

SCHEMBL17099013

O=C(CN(Cc1cccnc1)C(=O)c1cnn([C@H]2CC[C@H](C(=O)O)CC2)c1C(F)(F)F)c1c(Cl)cncc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
UBE2M P61081 5/20 0.34
DCUN1D1 Q96GG9 5/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
CHRM3 P20309 1/20 0.34
DHODH Q02127 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CCR5 P51681 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL17099017 1.00 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ELMNAUBE2M
SCHEMBL17098615 0.94 CCR5 (0.38) ALDH1A1MAPTKDM4ECHRM3CCR5
SCHEMBL17098618 0.94 CCR5 (0.38) ALDH1A1MAPTKDM4ECHRM3CCR5
SCHEMBL17099081 0.91 CCR5 (0.34) ALDH1A1MAPTCCR5
SCHEMBL17099084 0.91 CCR5 (0.34) ALDH1A1MAPTCCR5
SCHEMBL17097874 0.90 CCR5 (0.33) ALDH1A1GPBAR1CCR5
SCHEMBL17097870 0.90 CCR5 (0.33) ALDH1A1GPBAR1CCR5
SCHEMBL17098484 0.89 MEN1 (0.34) MAPTCCR5
SCHEMBL17098486 0.89 MEN1 (0.34) MAPTCCR5
SCHEMBL17098647 0.89 TAS2R14 (0.34) ALDH1A1MAPTKDM4ELMNAUBE2M

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 7 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-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
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 ALDH1A1 923/4885MAPT 3584/4885KDM4E 986/4885

“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.