SCHEMBL25824550

SCHEMBL25824550

COc1cc(N2CCNCC2)ccc1N1CCC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.44
▸ HTR7 P34969 2/20 0.44
▸ HTR3E A5X5Y0 3/20 0.44
▸ HTR3B O95264 3/20 0.44
▸ HTR3A P46098 3/20 0.44
▸ HTR3D Q70Z44 3/20 0.44
▸ HTR3C Q8WXA8 3/20 0.44
▸ ADRB1 P08588 5/20 0.44
▸ SIGMAR1 Q99720 2/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ DDB1 Q16531 5/20 0.43
▸ CRBN Q96SW2 5/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL25034749 0.90 HTR3E (0.47) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL27039567 0.84 DDB1 (0.56) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL24833007 0.83 ALDH1A1 (0.40) DDB1CRBNLMNAMAPT
Hydrochloric Acid SCHEMBL30969010 0.82 DDB1 (0.55) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL31722755 0.82 PDE3B (0.40) DDB1CRBN
Trifluoroacetic Acid SCHEMBL31630912 0.82 PKM (0.43) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL31306692 0.81 DDB1 (0.56) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL27039415 0.81 CRBN (0.46) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL26641815 0.81 ADRB1 (0.54) HTR1AHTR7HTR3EHTR3BHTR3A
SCHEMBL25824549 0.80 DDB1 (0.48) DDB1CRBNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125575-A1 IRAK4 PROTACS ASTRAZENECA AB (SE) 2025-06-19 — — WO disclosed
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 — — CN disclosed
CN-118271284-A Estrogen receptor modulators and uses thereof 江苏威凯尔医药科技有限公司 2024-07-02 — — CN disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 — — US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 — — US disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 — — CN 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 HTR1A 4156/4885HTR7 4012/4885HTR3E 3660/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 HTR1A 2866/4885HTR7 2918/4885HTR3E 2786/4885

“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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