SCHEMBL19443102

SCHEMBL19443102

CC(F)(F)c1ccc2c(c1)CNCC2

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ASIC3 Q9UHC3 1/20 0.47
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL10203261 0.86 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL29808272 0.86 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL183621 0.86 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL1000239 0.84 ASIC3 (0.59) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL14100824 0.80 PNMT (0.49) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL1431297 0.79 ASIC3 (0.55) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL329770 0.79 ASIC3 (0.69) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL1000104 0.77 ASIC3 (0.68) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL2675790 0.77 ASIC3 (0.67) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL25273345 0.76 ASIC3 (0.51) PNMTADRA2AADRA2BADRA2CDRD2

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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 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-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 PNMT 2379/4885ADRA2A 164/4885ADRA2B 177/4885

“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.