SCHEMBL29268331

SCHEMBL29268331

CN1CCCN(c2nc3ccccc3nc2Cl)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.88
HTR3B O95264 4/20 0.88
HTR3A P46098 4/20 0.88
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTR3E A5X5Y0 3/20 0.55
HTR3D Q70Z44 3/20 0.55
HTR3C Q8WXA8 3/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
GFER P55789 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH1 P35367 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL404203 0.94 HRH4 (1.00) HRH4HTR3BHTR3AMEN1KMT2A
Hydrochloric Acid SCHEMBL29694104 0.92 HRH4 (0.97) HRH4HTR3BHTR3AMEN1KMT2A
SCHEMBL14513387 0.85 HRH4 (0.83) HRH4HTR3BHTR3AMEN1KMT2A
SCHEMBL6358386 0.85 HRH4 (0.66) HRH4HTR3BHTR3AKDM4EHSD17B10
SCHEMBL5772481 0.79 HRH4 (0.72) HRH4HTR3BHTR3A
SCHEMBL5774076 0.79 HRH4 (0.72) HRH4HTR3BHTR3A
SCHEMBL2536412 0.78 HTR3B (0.62) HRH4HTR3BHTR3AMEN1KMT2A
SCHEMBL404202 0.78 HRH4 (0.70) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL27661218 0.78 HRH4 (0.70) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL405806 0.78 HRH4 (0.73) HRH4HTR3BHTR3AHTR3EHTR3D

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 8 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

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 3643/4885HTR3B 4016/4885HTR3A 4644/4885

“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.