SCHEMBL23213193

SCHEMBL23213193

O=C1CC(c2ccccc2Br)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
MAP1LC3B Q9GZQ8 2/20 0.43
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
KDM1A O60341 1/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
RAB9A P51151 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL29619691 1.00 BRD4 (0.46) BRD4MAP1LC3BCYP3A4CYP2D6CYP2C9
SCHEMBL28502581 0.80 CYP19A1 (0.41) ALDH1A1SMN1; SMN2HTR2CHTR2BKDM1A
SCHEMBL28502583 0.80 CYP19A1 (0.41) ALDH1A1SMN1; SMN2HTR2CHTR2BKDM1A
SCHEMBL657211 0.79 BRD4 (0.51) BRD4MAP1LC3BCYP3A4CYP2D6CYP2C9
SCHEMBL909265 0.75 CTRB1 (0.47) BRD4MAP1LC3BALDH1A1LMNA
SCHEMBL23210149 0.74 HCRTR2 (0.42) HTR2CHTR2BHTR2A
SCHEMBL29691300 0.74 HCRTR2 (0.42) HTR2CHTR2BHTR2A
SCHEMBL28511619 0.72 BRD4 (0.44) BRD4CYP3A4CYP2C9LMNAMAPK1
SCHEMBL28511616 0.72 BRD4 (0.44) BRD4CYP3A4CYP2C9LMNAMAPK1
SCHEMBL28571106 0.72 BRD4 (0.56) BRD4MAP1LC3BCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2024-05-02 US disclosed
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-11-21 US disclosed
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-12-29 US disclosed
US-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2022-11-01 US disclosed
EP-4041737-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-05-06 US disclosed
WO-2021070091-A1 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 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 (5 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-11485742-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 BRD4 1008/4885MAP1LC3B 4434/4885CYP3A4 528/4885
US-20240140959-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 BRD4 1008/4885MAP1LC3B 4434/4885CYP3A4 528/4885
US-20210130365-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 BRD4 1008/4885MAP1LC3B 4434/4885CYP3A4 528/4885
US-20220411435-A1 2-AZASPIRO[3,4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 BRD4 1051/4885MAP1LC3B 4460/4885CYP3A4 526/4885
US-11820778-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 BRD4 1008/4885MAP1LC3B 4434/4885CYP3A4 528/4885

“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.