SCHEMBL9969607

SCHEMBL9969607

CCOC(=O)C1C2CN(c3ccc([N+](=O)[O-])cc3)CC21

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.70
ALDH1A1 P00352 9/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 1/20 0.60
RXFP1 Q9HBX9 1/20 0.51
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL27774 0.82 MAPT (1.00) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6476736 0.82 MAPT (0.58) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14809723 0.81 NPSR1 (0.46) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL22209996 0.81 NPSR1 (0.46) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL22194704 0.81 NPSR1 (0.46) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL2171315 0.80 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6491940 0.80 MAPT (0.48) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9969608 0.79 MAPT (0.55) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL31437975 0.79 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNARXFP1
SCHEMBL17888540 0.79 MAPT (0.79) MAPTALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885SMN1; SMN2 2993/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAPT 4336/4885ALDH1A1 3986/4885SMN1; SMN2 3139/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885SMN1; SMN2 2993/4885

“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.