SCHEMBL21271307

SCHEMBL21271307

CS(=O)(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.45
FAAH O00519 8/20 0.45
MGLL Q99685 1/20 0.44
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL21271146 0.93 GAA (0.47) FAAHMGLL
SCHEMBL21271371 0.89 FAAH (0.49) AKR1C3FAAHMGLL
SCHEMBL21271313 0.88 MGLL (0.51) AKR1C3FAAHMGLLUSP2TSHR
SCHEMBL21271317 0.88 FAAH (0.42) FAAHMGLL
SCHEMBL21271245 0.88 FAAH (0.49) AKR1C3FAAHMGLL
SCHEMBL21271309 0.87 GAA (0.43) FAAHMGLL
SCHEMBL21271183 0.86 FAAH (0.53) AKR1C3FAAHMGLLUSP2TSHR
SCHEMBL21271265 0.86 FAAH (0.41) FAAHMGLL
SCHEMBL22350812 0.86 FAAH (0.49) AKR1C3FAAHMGLLUSP2TSHR
SCHEMBL21271387 0.86 SMN1; SMN2 (0.42) FAAH

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 4 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

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 AKR1C3 2544/4885FAAH 16/4885MGLL 21/4885

“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.