SCHEMBL2330771

SCHEMBL2330771

O=C(O)N1CCCC1c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.52
PPIB P23284 1/20 0.52
PPIG Q13427 1/20 0.52
BACE1 P56817 2/20 0.50
SCD5 Q86SK9 1/20 0.48
RIPK1 Q13546 1/20 0.46
HSP90AA1 P07900 7/20 0.42
HSP90AB1 P08238 7/20 0.42
PDE5A O76074 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL17093004 0.89 RIPK1 (0.51) RIPK1HSP90AA1HSP90AB1
SCHEMBL16964986 0.84 RIPK1 (0.48) RIPK1HSP90AA1HSP90AB1
SCHEMBL22165570 0.83 RIPK1 (0.47) RIPK1HSP90AA1HSP90AB1
SCHEMBL23064471 0.82 PPID (0.48) PPIDPPIBPPIGBACE1SCD5
SCHEMBL28537451 0.82 PPID (0.48) PPIDPPIBPPIGBACE1SCD5
SCHEMBL6310168 0.81 HSP90AA1 (0.61) RIPK1HSP90AA1HSP90AB1
SCHEMBL28946650 0.81 RIPK1 (0.46) PPIDPPIBPPIGRIPK1HSP90AA1
SCHEMBL2325712 0.80 NR1H2 (0.57) PPIDPPIBPPIGSCD5RIPK1
SCHEMBL3312132 0.80 NR1H2 (0.57) PPIDPPIBPPIGSCD5RIPK1
SCHEMBL3313724 0.80 NR1H2 (0.57) PPIDPPIBPPIGSCD5RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
US-20230119463-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2023-04-20 US disclosed
CN-115490708-A Sulfonamide macrocyclic derivatives, and preparation method and application thereof 苏州亚盛药业有限公司 2022-12-20 CN disclosed
WO-2022140224-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. (US) 2022-06-30 WO disclosed
WO-2021133817-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2021-07-01 WO disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed
WO-2020140005-A2 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-07-02 WO disclosed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
EP-2356105-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. Organon (NL) 2011-08-17 EP disclosed
WO-2010052198-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. ORGANON (NL) 2010-05-14 WO disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 PPID 208/4885PPIB 46/4885PPIG 37/4885
US-20230119463-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BAK1, BCL2A1 PPID 129/4885PPIB 70/4885PPIG 154/4885
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES CNR1, CNR2, TRPV1 PPID 679/4885PPIB 573/4885PPIG 571/4885

“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.