SCHEMBL8908734

SCHEMBL8908734

O=Cc1ccc(OCCN2CCCCC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
TSHR P16473 1/20 0.59
ACHE P22303 1/20 0.54
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A3 P47895 1/20 0.49
CACNA1F O60840 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2C P28335 2/20 0.47

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
SCHEMBL5692458 0.88 ALDH1A1 (0.63) LTA4HTSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL1299776 0.86 HPGD (0.67) LTA4HTSHRACHEHPGDALDH1A1
SCHEMBL8891214 0.84 LTA4H (0.60) LTA4HTSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3422205 0.83 HRH4 (0.50) LTA4HACHEHPGDSMN1; SMN2ALDH1A1
SCHEMBL2421772 0.83 FDPS (0.67) LTA4HTSHRACHEHPGDSMN1; SMN2
SCHEMBL30462846 0.83 FDPS (0.67) LTA4HTSHRACHEHPGDSMN1; SMN2
SCHEMBL3564150 0.82 ALDH1A1 (0.49) LTA4HACHESMN1; SMN2ALDH1A1KDM4E
SCHEMBL25470949 0.82 ALDH1A1 (0.56) TSHRHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL29038397 0.81 FDPS (0.60) LTA4HTSHRACHESMN1; SMN2ALDH1A1
SCHEMBL30462823 0.81 FDPS (0.68) LTA4HTSHRACHEHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109496213-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2022-03-04 CN disclosed
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 EP disclosed
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
EP-3455226-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-03-20 EP disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
WO-2017197192-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
WO-1997030985-A1 BENZOTHIOPHENES, AND FORMULATIONS AND METHODS, USING SAME ELI LILLY AND COMPANY (US) 1997-08-28 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 (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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 LTA4H 349/4885TSHR 4623/4885ACHE 655/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 LTA4H 349/4885TSHR 4623/4885ACHE 655/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 LTA4H 349/4885TSHR 4623/4885ACHE 655/4885

“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.