SCHEMBL20769561

SCHEMBL20769561

CN(Cc1cccc(Cl)c1C1(C(=O)O)CCCC1)C1(C)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.38
OPRM1 P35372 1/20 0.35
HSD11B1 P28845 2/20 0.35
AKR1C1 Q04828 1/20 0.35
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 7/20 0.34
SLC6A3 Q01959 5/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 2/20 0.34
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL30487795 1.00 HDAC4 (0.38) HDAC4OPRM1HSD11B1AKR1C1SLC6A4
SCHEMBL30487805 0.85 REN (0.36) HDAC4OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL20769650 0.76 MGLL (0.47)
SCHEMBL28382209 0.74 HPGD (0.39) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL20793759 0.73 MGLL (0.42) OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL28382661 0.72 MGLL (0.40) HDAC4OPRM1ALDH1A1
SCHEMBL20769618 0.70 STS (0.39) HSD11B1MAPT
SCHEMBL30487791 0.70 STS (0.39) HSD11B1MAPT
SCHEMBL19603193 0.67 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL11831193 0.66 HDAC4 (0.36) HDAC4CYP3A4CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032034-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2023-05-02 CN disclosed
EP-3675848-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2022-03-23 EP disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
EP-3675848-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Lundbeck La Jolla Research Center, Inc. (US) 2020-07-08 EP disclosed
CN-111032034-A Spiro compounds and methods of making and using the same 隆德贝克拉荷亚研究中心有限公司 2020-04-17 CN disclosed
WO-2019046330-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2019046330-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 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 (2 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 HDAC4 3645/4885OPRM1 64/4885HSD11B1 339/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 HDAC4 3303/4885OPRM1 20/4885HSD11B1 718/4885

“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.