SCHEMBL30106951

SCHEMBL30106951

Cc1cn(CC2CCC(F)(F)CC2)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
CRHR1 P34998 1/20 0.37
P2RX7 Q99572 3/20 0.34
BRD4 O60885 3/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
IL1B P01584 1/20 0.31
LRRK2 Q5S007 1/20 0.31
GAA P10253 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 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
SCHEMBL30106926 0.92 IDH1 (0.37) IDH1CRHR1
SCHEMBL31010312 0.90 IDH1 (0.36) IDH1CRHR1P2RX7BRD4CNR1
SCHEMBL30106896 0.83 IDH1 (0.39) IDH1CRHR1P2RX7BRD4IL1B
SCHEMBL30106886 0.83 IDH1 (0.32) IDH1CRHR1
SCHEMBL30106924 0.83 IDH1 (0.32) IDH1CRHR1
SCHEMBL30106910 0.81 IDH1 (0.39) IDH1CRHR1P2RX7BRD4CNR1
SCHEMBL30106912 0.80 CRHR1 (0.36) IDH1CRHR1P2RX7BRD4CNR1
SCHEMBL30106921 0.79 IDH1 (0.36) IDH1P2RX7BRD4HTR2AHTR2C
SCHEMBL30106953 0.78 BRD4 (0.35) CRHR1P2RX7BRD4HTR2AHTR2C
SCHEMBL30106938 0.76 CRHR1 (0.31) CRHR1BRD4LRRK2

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
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
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 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 (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 IDH1 1865/4885CRHR1 2164/4885P2RX7 74/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A IDH1 1865/4885CRHR1 2164/4885P2RX7 74/4885

“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.