SCHEMBL24971028

SCHEMBL24971028

CN1CCN(c2nc3ccccc3cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 14/20 0.65
▸ HTR3A P46098 6/20 0.65
▸ HTR3B O95264 4/20 0.65
▸ HTR3E A5X5Y0 3/20 0.56
▸ HTR3D Q70Z44 3/20 0.56
▸ HTR3C Q8WXA8 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HTR1A P08908 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51

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
SCHEMBL30762475 0.84 KDM4E (0.62) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL27949257 0.83 HRH4 (0.59) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL24970932 0.81 TDP1 (0.54) HTR3AHTR3BHTR3EHTR3DHTR3C
Hydrochloric Acid SCHEMBL27602153 0.80 HRH3 (0.56) HRH4HTR3AHTR3BKDM4EALDH1A1
SCHEMBL404203 0.79 HRH4 (1.00) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL15865117 0.78 HRH4 (0.54) HRH4HTR3AHTR3BHTR3EHTR3D
Hydrochloric Acid SCHEMBL29694104 0.78 HRH4 (0.97) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL24969947 0.77 CHRNB2 (0.58) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL15864188 0.76 HRH4 (0.51) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL24970895 0.76 BACE1 (0.53) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US claimed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 — — EP claimed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 — — CN claimed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — WO claimed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US disclosed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 — — EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 — — CN disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — WO disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — 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 (1 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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B HRH4 3643/4885HTR3A 4644/4885HTR3B 4016/4885

“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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