SCHEMBL10034638

SCHEMBL10034638

CCOC(=O)[C@@H]1CCCN1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13515920 0.82 FKBP1A (0.35) FKBP1AALDH1A1KDM4ETSHRMAPK1
SCHEMBL3529714 0.81 FKBP1A (0.57) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL11099628 0.81 FKBP1A (0.57) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL19171985 0.81 FKBP1A (0.47) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL3529712 0.81 FKBP1A (0.57) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL11490824 0.80 FKBP1A (0.49) FKBP1AMAPTALDH1A1KDM4EMEN1
SCHEMBL11490823 0.80 FKBP1A (0.49) FKBP1AMAPTALDH1A1KDM4EMEN1
SCHEMBL13601738 0.80 FKBP1A (0.49) FKBP1AMAPTALDH1A1KDM4EMEN1
SCHEMBL4892941 0.80 FKBP1A (0.49) FKBP1AMAPTALDH1A1KDM4ETSHR
SCHEMBL4454199 0.80 FKBP1A (0.49) FKBP1AMAPTALDH1A1KDM4ETSHR

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-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20080227806-A1 Novel Drugs for Dementia AMERICAN LIFE SCIENCE PHARMACEUTICALS (US) 2008-09-18 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-20080227806-A1 Novel Drugs for Dementia CTSS, PRSS1, CBS FKBP1A 1455/4885MAPT 172/4885ALDH1A1 2533/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP FKBP1A 1184/4885MAPT 1811/4885ALDH1A1 2740/4885

“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.