SCHEMBL21348152

SCHEMBL21348152

CC(I)OCCN(C)CCN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CXCR4 P61073 2/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRM5 P08912 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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
SCHEMBL20328720 0.88 SMN1; SMN2 (0.43) SIGMAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL22416342 0.84 SLC6A3 (0.43) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL21120416 0.84 SIGMAR1 (0.35) SIGMAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL21348721 0.82 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL26941832 0.82 SIGMAR1 (0.36) SIGMAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL21848373 0.80 ALDH1A1 (0.45) SIGMAR1SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL20332917 0.79 MEN1 (0.45) SIGMAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL20328726 0.79 SMN1; SMN2 (0.41) SIGMAR1SMN1; SMN2CXCR4
SCHEMBL20328731 0.79 SMN1; SMN2 (0.41) SIGMAR1SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL26939993 0.77 SIGMAR1 (0.33) SIGMAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 — — US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 — — 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 (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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SIGMAR1 4096/4885SMN1; SMN2 4652/4885ALDH1A1 3264/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885SMN1; SMN2 4652/4885ALDH1A1 3264/4885

“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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