SCHEMBL17077643

SCHEMBL17077643

O=C1NCC2(CCC(F)(F)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
DRD1 P21728 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK8 P49336 5/20 0.33
CDK19 Q9BWU1 5/20 0.33
CCNC P24863 4/20 0.33
CHRNA7 P36544 2/20 0.33
CYP11B2 P19099 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMO Q99835 1/20 0.31
HDAC1 Q13547 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL519126 0.89
SCHEMBL22770864 0.80
SCHEMBL18355718 0.80 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL3062964 0.78 LMNA (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL20355472 0.77 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL30048976 0.77 LMNA (0.44) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL23871749 0.76 LMNA (0.41) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL1558282 0.75 LMNA (0.43) LMNACHRM2ADRA2ACYP2D6TSHR
Hydrochloric Acid SCHEMBL3242359 0.75 MAPT (0.45) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL28968942 0.75 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143179-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2023-03-08 EP disclosed
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 WO 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 LMNA 3126/4885CHRM2 1022/4885ADRA2A 589/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 LMNA 3126/4885CHRM2 1022/4885ADRA2A 589/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 LMNA 3094/4885CHRM2 1055/4885ADRA2A 578/4885

“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.