SCHEMBL5229375

SCHEMBL5229375

O=C(O)c1ccc2occ(Br)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 7/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR2C P28335 2/20 0.42
GSK3B P49841 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TBXAS1 P24557 1/20 0.39
PIM1 P11309 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6488193 0.86 PIM1 (0.46) TTRCASP3SENP8SENP7SENP6
SCHEMBL3491008 0.80 OGG1 (0.47) CASP3SENP8SENP7SENP6HTR1A
SCHEMBL3494354 0.80 NQO2 (0.56) CASP3SENP8SENP7SENP6GSK3B
SCHEMBL16714069 0.79 TTR (0.51) TTRHTR1AHTR1DHTR2CGSK3B
SCHEMBL5231032 0.79 CHRNA7 (0.49) TTRHTR1AHTR1DHTR2CGSK3B
SCHEMBL17858550 0.75 TTR (0.42) TTRHTR1AHTR1DHTR2CGSK3B
SCHEMBL15981548 0.75 GSK3B (0.42) TTRHTR1AHTR1DHTR2CGSK3B
SCHEMBL11620715 0.75 POLB (0.59) TTRGSK3BALDH1A1NPC1RAB9A
SCHEMBL6479395 0.75 TTR (0.42) TTRHTR1AHTR1DHTR2CGSK3B
SCHEMBL5225961 0.75 ACE2 (0.53) TTRHTR1AHTR1DHTR2CGSK3B

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
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2025-06-05 US disclosed
WO-2025103442-A1 SUBSTITUTED 2-(PYRROLIDIN-3-YL)ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-05-22 WO disclosed
EP-2693883-B1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2018-12-26 EP disclosed
US-20170080001-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY 2017-03-23 US disclosed
US-20140163229-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140163229-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
EP-1562959-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES Pharmacia & Upjohn Company LLC (US) 2005-08-17 EP disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20040147522-A1 Compounds having both alpha7 nicotinic agonist activity and 5HT3 antagonist activity for the treatment of CNS diseases PHARMACIA & UPJOHN COMPANY 2004-07-29 US disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
WO-2004039815-A2 COMPOUNDS HAVING BOTH ALPHA7 NACHR AGONIST AND 5HT ANTAGONIST ACTIVITY FOR TREATMENT OF CNS DISEASES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 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 (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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 TTR 1980/4885CASP3 2245/4885SENP8 4812/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 TTR 3236/4885CASP3 4244/4885SENP8 4265/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 TTR 1980/4885CASP3 2245/4885SENP8 4812/4885
US-20250179055-A1 Substituted 2-(pyrrolidine-3-yl)acetic acid derivative, preparation method and use thereof PCSK9, LPL, LYPLA1 TTR 748/4885CASP3 1422/4885SENP8 1327/4885
US-20040147522-A1 Compounds having both alpha7 nicotinic agonist activity and 5HT3 antagonist activity for the treatment of CNS diseases HTR7, CHRNA7, CHRNA3 TTR 2167/4885CASP3 441/4885SENP8 3513/4885
US-20170080001-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME STIM1, STAMBP, ILK TTR 1889/4885CASP3 4015/4885SENP8 623/4885
US-20140163229-A1 SILYL MONOMERS CAPABLE OF MULTIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME STIM1, STAMBP, ILK TTR 1889/4885CASP3 4015/4885SENP8 623/4885

“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.