SCHEMBL21994933

SCHEMBL21994933

N[C@H]1c2ccccc2C[C@H]1OCCCCO[C@@H]1Cc2ccccc2[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.43
HTR2A P28223 5/20 0.37
SIGMAR1 Q99720 2/20 0.37
PLAU P00749 1/20 0.35
IDO1 P14902 1/20 0.35
KDM1B Q8NB78 2/20 0.35
HRH1 P35367 2/20 0.34
RET P07949 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL21994932 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL22788416 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL21995053 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL21995278 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL22442430 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL21995277 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL21995054 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL22456838 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL22456949 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1
SCHEMBL29527555 0.98 KDM1A (0.42) KDM1AHTR2ASIGMAR1PLAUIDO1

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
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
US-11873310-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-01-16 US disclosed
US-11492361-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-11-08 US disclosed
US-20220119417-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-21 US disclosed
EP-3886987-A1 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-10-06 EP disclosed
US-20210009609-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-01-14 US disclosed
US-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 US disclosed
US-20200299309-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020110056-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 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 (7 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-20220119417-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 KDM1A 4469/4885HTR2A 4620/4885SIGMAR1 2713/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 KDM1A 4469/4885HTR2A 4620/4885SIGMAR1 2713/4885
US-11873310-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 KDM1A 4469/4885HTR2A 4620/4885SIGMAR1 2713/4885
US-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 KDM1A 3918/4885HTR2A 4594/4885SIGMAR1 2770/4885
US-11492361-B2 Compounds useful in HIV therapy CD4, CCR5, ABCB1 KDM1A 4358/4885HTR2A 4620/4885SIGMAR1 2227/4885
US-20200299309-A1 Compounds Useful in HIV Therapy CCR5, SLC11A2, CD4 KDM1A 3918/4885HTR2A 4594/4885SIGMAR1 2770/4885
US-20210009609-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 KDM1A 4358/4885HTR2A 4620/4885SIGMAR1 2227/4885

“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.