SCHEMBL21119152

SCHEMBL21119152

CCCCCCN(C)CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
KEAP1 Q14145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41

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
SCHEMBL20333442 0.93 MAPK1 (0.44) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL21120552 0.93 MAPK1 (0.44) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL1033434 0.89 KEAP1 (0.54) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL12250550 0.84 KEAP1 (0.48) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL11480929 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL351640 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL1261589 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL10721706 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL11479545 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL1262440 0.83 MAPK1 (0.58) ALDH1A1MAPK1CYP1A2CHRM2CHRM1

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 3 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
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 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 (3 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 ALDH1A1 3264/4885MAPK1 3654/4885CYP1A2 3025/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885MAPK1 3654/4885CYP1A2 3025/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885MAPK1 3654/4885CYP1A2 3025/4885

“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.