SCHEMBL29455152

SCHEMBL29455152

CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N3N=CCC3c3cc(F)ccc3F)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
RIPK1 Q13546 3/20 0.39
NR1H2 P55055 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL22644557 1.00 NTRK1 (0.43) NTRK1HDAC1HDAC2RIPK1NR1H2
SCHEMBL28678669 0.85 RIPK1 (0.40) RIPK1
SCHEMBL28673502 0.85 RIPK1 (0.40) RIPK1
SCHEMBL24714794 0.85 RIPK1 (0.43) NTRK1RIPK1
SCHEMBL22638847 0.85 RIPK1 (0.55) HDAC1HDAC2RIPK1NR1H2
SCHEMBL22638892 0.85 RIPK1 (0.55) HDAC1HDAC2RIPK1NR1H2
SCHEMBL30968268 0.84 RIPK1 (0.37) NTRK1RIPK1
SCHEMBL22638879 0.83 NTRK1 (0.41) NTRK1HDAC1HDAC2NR1H2SMN1; SMN2
SCHEMBL22638942 0.82 RIPK1 (0.44) HDAC1HDAC2RIPK1NR1H2
SCHEMBL22638855 0.81 RIPK1 (0.39) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767092-B Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-07-16 CN disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
EP-3967682-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-16 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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 NTRK1 1263/4885HDAC1 403/4885HDAC2 641/4885

“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.