SCHEMBL18967101

SCHEMBL18967101

CN1CC[C@H]2CCN[C@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
NCF1 P14598 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
GNAI3 P08754 3/20 0.30
GNAO1 P09471 3/20 0.30
GNAI1 P63096 3/20 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
SCHEMBL18967092 1.00 MBTD1 (0.34) MBTD1L3MBTL3NCF1HRH4GNAI3
SCHEMBL15338322 1.00 MBTD1 (0.34) MBTD1L3MBTL3NCF1HRH4GNAI3
SCHEMBL12560847 1.00 MBTD1 (0.34) MBTD1L3MBTL3NCF1HRH4GNAI3
SCHEMBL23866134 1.00 MBTD1 (0.34) MBTD1L3MBTL3NCF1HRH4GNAI3
Hydrochloric Acid SCHEMBL30938586 0.98 MBTD1 (0.33) MBTD1L3MBTL3NCF1HRH4GNAI3
Hydrochloric Acid SCHEMBL31430092 0.98 MBTD1 (0.33) MBTD1L3MBTL3NCF1HRH4GNAI3
SCHEMBL19343102 0.88 MBTD1 (0.33) MBTD1L3MBTL3HRH4
SCHEMBL10381139 0.88 HRH4 (0.40) MBTD1L3MBTL3NCF1HRH4
SCHEMBL12605050 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1
SCHEMBL4406747 0.87 MBTD1 (0.34) MBTD1L3MBTL3NCF1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4611743-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-09-10 EP disclosed
EP-4590672-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2025-07-30 EP disclosed
CN-119907797-A Phthalazine derivatives as NOD-like receptor protein 3 inhibitors 默沙东有限责任公司 2025-04-29 CN disclosed
WO-2024097598-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed
WO-2024097598-A1 TRIAZINES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-05-10 WO disclosed
US-20240124451-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-04-18 US disclosed
WO-2024064245-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-03-28 WO disclosed
WO-2024064245-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-03-28 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3386505-B1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2020-09-23 EP disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9765093-B2 Aza-benzimidazole inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO disclosed
WO-2017100601-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 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 (3 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-20240124451-A1 PHTHALAZINE DERIVATIVES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NLRP3, FABP3, NOD2 MBTD1 2510/4885L3MBTL3 1658/4885NCF1 150/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 MBTD1 1314/4885L3MBTL3 1631/4885NCF1 1076/4885
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADI4, PADI1, PADI6 MBTD1 532/4885L3MBTL3 1934/4885NCF1 1234/4885

“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.