SCHEMBL21752029

SCHEMBL21752029

NCC1(NCC(=O)O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
CACNA2D1 P54289 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MME P08473 1/20 0.38
CYP2C19 P33261 2/20 0.36
DPP4 P27487 7/20 0.36

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
SCHEMBL28576192 0.79 TSHR (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL28873044 0.75 GAA (0.39) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL5095243 0.75 TSHR (0.41) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL3892858 0.75 ALDH1A1 (0.45) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL21752027 0.74 MME (0.34) TSHRUSP2ALDH1A1LMNACYP1A2
Bromide SCHEMBL21752031 0.73 MME (0.33) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL14165607 0.72 ALDH1A1 (0.42) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL28815502 0.72 ALDH1A1 (0.38) TSHRUSP2ALDH1A1LMNACYP1A2
Benzene SCHEMBL28175146 0.72 ALDH1A1 (0.42) TSHRUSP2ALDH1A1LMNACYP1A2
SCHEMBL1781639 0.71 DPP4 (0.49) TSHRUSP2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264135-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one PHARMACOSMOS HOLDING A/S (DK) 2025-04-01 US disclosed
US-20240199556-A1 Synthesis of 1,4-Diazaspiro[5.5]Undecan-3-One G1 THERAPEUTICS, INC. (US) 2024-06-20 US disclosed
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
CN-109789142-B Synthesis of N- (heteroaryl) -pyrrolo [3,2-D ] pyrimidin-2-amines G1治疗公司 2022-08-23 CN disclosed
EP-3840756-A1 IMPROVED SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE G1 Therapeutics, Inc. (US) 2021-06-30 EP disclosed
US-20210179567-A1 SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE G1 THERAPEUTICS, INC. (US) 2021-06-17 US disclosed
US-20210179567-A1 SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE G1 THERAPEUTICS, INC. (US) 2021-06-17 US disclosed
CN-112839657-A Improved synthesis of 1, 4-diazaspiro [5.5] undecan-3-ones G1治疗公司 2021-05-25 CN disclosed
WO-2020041770-A1 IMPROVED SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE G1 THERAPEUTICS, INC. (US) 2020-02-27 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 (4 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-12264135-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 TSHR 3147/4885USP2 1000/4885ALDH1A1 723/4885
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 TSHR 3147/4885USP2 1000/4885ALDH1A1 723/4885
US-20210179567-A1 SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE NDC1, SDC1, SDC2 TSHR 3147/4885USP2 1000/4885ALDH1A1 723/4885
US-20240199556-A1 Synthesis of 1,4-Diazaspiro[5.5]Undecan-3-One NDC1, SDC1, SDC2 TSHR 3147/4885USP2 1000/4885ALDH1A1 723/4885

“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.