SCHEMBL4246182

SCHEMBL4246182

[CH2]C1CCN(Cc2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.50
▸ TRPV6 Q9H1D0 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ CCR5 P51681 1/20 0.46
▸ CXCR4 P61073 1/20 0.46

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
SCHEMBL28269086 0.82 LSS (0.66) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL8100035 0.81 SIGMAR1 (0.50) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL4700697 0.81 SIGMAR1 (0.50) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL1586376 0.81 SIGMAR1 (0.50) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL4246188 0.81 ACHE (0.68) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL23304299 0.81 SIGMAR1 (0.54) SIGMAR1TRPV6KDM4EMEN1ALDH1A1
SCHEMBL1232375 0.81 ACHE (0.67) SIGMAR1ALDH1A1CXCR4
Hydrochloric Acid SCHEMBL6039717 0.80 SIGMAR1 (0.49) LSSSIGMAR1TRPV6KDM4EMEN1
SCHEMBL13128763 0.80 SIGMAR1 (0.49) LSSSIGMAR1TRPV6KDM4EMEN1
Hydrochloric Acid SCHEMBL2674716 0.80 SIGMAR1 (0.49) LSSSIGMAR1TRPV6KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2009-10-01 — — US 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-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MAPT, PSEN2, PSEN1 LSS 977/4885SIGMAR1 3130/4885TRPV6 4157/4885

“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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