SCHEMBL5457008

SCHEMBL5457008

CC(C)(C)OC(=O)N1CCC(Oc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
STS P08842 3/20 0.56
GPR119 Q8TDV5 7/20 0.53
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
CACNB4 O00305 1/20 0.49
CACNA1A O00555 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNG3 O60359 1/20 0.49
CACNA1F O60840 1/20 0.49
CACNA1H O95180 1/20 0.49
CACNB3 P54284 1/20 0.49
CACNA2D1 P54289 1/20 0.49
CACNG7 P62955 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNA1D Q01668 1/20 0.49

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
SCHEMBL5462157 0.93 STS (0.51) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL68971 0.90 KDM1A (0.56) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL22265927 0.88 GPR119 (0.55) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL20567645 0.88 KDM1A (0.60) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL22265805 0.88 KDM1A (0.55) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL29079766 0.88 KDM1A (0.55) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL3256409 0.87 KDM1A (0.54) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL5248914 0.86 STS (0.54) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL31071567 0.86 KDM1A (0.53) KDM1ASTSGPR119PDE4APDE4B
SCHEMBL13489659 0.86 STS (0.59) KDM1ASTSGPR119NPBWR1MCHR1

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-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-12098146-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-09-24 US disclosed
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
CN-113906019-A Compound and use thereof 优曼尼蒂治疗公司 2022-01-07 CN disclosed
EP-3914593-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-12-01 EP disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 US disclosed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 WO disclosed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 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 (6 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 KDM1A 377/4885STS 2774/4885GPR119 164/4885
US-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM1A 1876/4885STS 1602/4885GPR119 3998/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 KDM1A 1876/4885STS 1602/4885GPR119 3998/4885
US-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM1A 1876/4885STS 1602/4885GPR119 3998/4885
US-20210139471-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM1A 1876/4885STS 1602/4885GPR119 3998/4885
US-12098146-B2 Compounds and uses thereof NLN, BDNF, NQO1 KDM1A 1876/4885STS 1602/4885GPR119 3998/4885

“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.