SCHEMBL16824868

SCHEMBL16824868

O=C(O)C1CCNCC12CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA1 P14867 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRE P78334 1/20 0.41
PMP22 Q01453 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
SSTR4 P31391 2/20 0.40
SLC6A1 P30531 4/20 0.36

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
SCHEMBL4340491 0.90 TSHR (0.38) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL1033600 0.82 TSHR (0.37) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL4772549 0.82 SLC6A1 (0.41) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL30085287 0.82 KDM4E (0.34) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL22535700 0.79 SSTR4 (0.35) SSTR4
SCHEMBL21795372 0.78 SSTR4 (0.37) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL20470235 0.77 SSTR4 (0.36) TSHRSSTR4CYP1A2CYP2C19
SCHEMBL15415973 0.75 HRH3 (0.36) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL9566371 0.75 HRH3 (0.36) TSHRGABRA5GABRB2GABRA1GABRA4
SCHEMBL19815605 0.75 GABRA5 (0.41) TSHRGABRA5GABRB2GABRA1GABRA4

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 11 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
EP-3576743-B1 5-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-5-AZASPIRO[2 5]OCTANE-8-CARBOXYLIC ACID DERIVATIVES AS JAK KINASE INHIBITORS LEO PHARMA AS (DK) 2023-01-18 EP 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
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
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
CN-113767092-A Bis-heterocyclic carbonyl substituted dihydropyrazole compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2021-12-07 CN disclosed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 WO disclosed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 WO disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 WO 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 TSHR 4807/4885GABRA5 2683/4885GABRB2 3210/4885

“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.