SCHEMBL18960693

SCHEMBL18960693

CC(C)N1C[C@H](N)C[C@@H](F)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 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
SCHEMBL13647218 1.00 DPP4 (0.32) DPP4DPP8DPP9
SCHEMBL24790013 1.00 DPP4 (0.32) DPP4DPP8DPP9
SCHEMBL24789582 1.00 DPP4 (0.32) DPP4DPP8DPP9
SCHEMBL23565822 1.00 DPP4 (0.32) DPP4DPP8DPP9
SCHEMBL17294904 0.84
SCHEMBL17304804 0.84
SCHEMBL17173261 0.84 DPP4 (0.32) DPP4DPP8DPP9
SCHEMBL24788135 0.79
SCHEMBL2737382 0.78
SCHEMBL680704 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL MYERS SQUIBB CO (US) 2023-06-29 US disclosed
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL MYERS SQUIBB CO (US) 2023-06-29 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-12-22 US disclosed
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes BRISTOL-MYERS SQUIBB COMPANY (US) 2022-12-13 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US 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
US-9765093-B2 Aza-benzimidazole inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US 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
US-20170166592-A1 AZA-BENZIMIDAZOLE 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 (7 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-20220402950-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS PADI4, PADI1, PADI6 DPP4 11/4885DPP8 222/4885DPP9 173/4885
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT PADI4, PADI1, PADI2 DPP4 10/4885DPP8 238/4885DPP9 124/4885
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes PADI4, PADI1, PADI2 DPP4 71/4885DPP8 503/4885DPP9 271/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 DPP4 67/4885DPP8 81/4885DPP9 132/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 DPP4 14/4885DPP8 88/4885DPP9 112/4885
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADI4, PADI1, PADI6 DPP4 23/4885DPP8 161/4885DPP9 175/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 DPP4 17/4885DPP8 117/4885DPP9 64/4885

“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.