SCHEMBL20503512

SCHEMBL20503512

CC(C)(C)OC(=O)N1CCC2(CCCN2Cc2cc(N3CCCC3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.56
TACR1 P25103 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29446971 0.87 MGLL (0.54) MGLLTACR1ALDH1A1
SCHEMBL20166145 0.87 MGLL (0.54) MGLLTACR1ALDH1A1
SCHEMBL29417702 0.87 MGLL (0.53) MGLLTACR1ALDH1A1
SCHEMBL19582601 0.87 MGLL (0.53) MGLLTACR1ALDH1A1
SCHEMBL19602043 0.86 MGLL (0.57) MGLL
SCHEMBL29417719 0.86 MGLL (0.69) MGLL
SCHEMBL19582323 0.86 MGLL (0.69) MGLL
SCHEMBL19602050 0.85 MGLL (0.57) MGLL
SCHEMBL19582592 0.85 MGLL (0.48) MGLLTACR1ALDH1A1
SCHEMBL19582593 0.85 MGLL (0.48) MGLLTACR1ALDH1A1

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
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
EP-3377060-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-09-26 EP 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-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 MGLL 21/4885TACR1 4556/4885ALDH1A1 1812/4885

“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.