SCHEMBL30106930

SCHEMBL30106930

FC1(F)CCC(Cn2cc(C(F)(F)F)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.38
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
PDK2 Q15119 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
IDH1 O75874 1/20 0.33
BRD4 O60885 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
GRM2 Q14416 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL18283552 0.80 MAPT (0.39) JAK2JAK1TYK2JAK3IDH1
SCHEMBL25145556 0.80 PIM1 (0.39) CRHR1
Hydrochloric Acid SCHEMBL21491661 0.77 GABRA1 (0.37) GABRA1GABRB2JAK2JAK1TYK2
SCHEMBL24208619 0.75 L3MBTL1 (0.47) JAK2JAK1TYK2JAK3HDAC1
Hydrochloric Acid SCHEMBL28530896 0.75 JAK2 (0.41) JAK2JAK1TYK2JAK3BRD4
SCHEMBL25145559 0.74 MGLL (0.33) CRHR1GABRDGABRA1GABRB2GABRA4
SCHEMBL30106910 0.72 IDH1 (0.39) CRHR1IDH1BRD4GRM2CNR1
SCHEMBL30106951 0.72 IDH1 (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL30106896 0.72 IDH1 (0.39) CRHR1IDH1BRD4OPRM1OPRK1
SCHEMBL30106878 0.72 IDH1 (0.34) CRHR1IDH1BRD4GRM2OPRM1

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-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US claimed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A CRHR1 2164/4885GABRD 458/4885GABRA1 331/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A CRHR1 2164/4885GABRD 458/4885GABRA1 331/4885

“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.