SCHEMBL19582690

SCHEMBL19582690

CC(C)(C)OC(=O)C1CCN(c2cc(I)ccc2C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LGMN Q99538 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ GPR119 Q8TDV5 3/20 0.34
▸ AURKA O14965 1/20 0.34
▸ ERN1 O75460 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 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
SCHEMBL22839753 0.87 MAPT (0.43) HRH3LGMNKMT2AMEN1ALDH1A1
SCHEMBL19087943 0.86 MAPT (0.44) HRH3LGMNKMT2AMEN1ALDH1A1
SCHEMBL17305174 0.84 LMNA (0.44) KMT2AMEN1ALDH1A1MAPT
SCHEMBL19608849 0.81 ACACB (0.35) HRH3LGMNKMT2AMEN1ALDH1A1
SCHEMBL19582717 0.80 GABRA5 (0.42) HRH3LGMNKMT2AMEN1ALDH1A1
SCHEMBL15101022 0.80 PIM1 (0.52) —
SCHEMBL19078396 0.74 MAPT (0.43) KMT2AMEN1ALDH1A1MAPT
SCHEMBL31204447 0.74 MAPT (0.42) LGMNALDH1A1MAPTGPR119AURKA
SCHEMBL19078423 0.74 MAPT (0.43) KMT2AMEN1ALDH1A1MAPT
SCHEMBL24646041 0.73 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455226-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-12-30 — — EP 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
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
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 — — US 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
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
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 — — US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 — — 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 HRH3 3121/4885LGMN 2964/4885KMT2A 3691/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 HRH3 3121/4885LGMN 2964/4885KMT2A 3691/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 HRH3 3121/4885LGMN 2964/4885KMT2A 3691/4885

“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.

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