SCHEMBL4431060

SCHEMBL4431060

COC(=O)[C@@H]1CCCCN1C(=O)CN

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.56
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
PEPD P12955 2/20 0.46
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
XPNPEP1 Q9NQW7 1/20 0.43

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
SCHEMBL4431061 1.00 FKBP1A (0.56) FKBP1APOLBLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31733698 0.98 FKBP1A (0.55) FKBP1APOLBLMNARAB9ASMN1; SMN2
SCHEMBL852542 0.95 POLB (0.52) FKBP1APOLBLMNARAB9ASMN1; SMN2
SCHEMBL852541 0.95 POLB (0.52) FKBP1APOLBLMNARAB9ASMN1; SMN2
SCHEMBL4437850 0.95 POLB (0.52) FKBP1APOLBLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7270483 0.94 POLB (0.51) FKBP1APOLBLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7271886 0.94 POLB (0.51) FKBP1APOLBLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4437853 0.94 POLB (0.51) FKBP1APOLBLMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4437845 0.94 POLB (0.51) FKBP1APOLBLMNARAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4431133 0.90 FKBP1A (0.51) FKBP1APOLBLMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 FKBP1A 3050/4885POLB 2463/4885LMNA 4502/4885
US-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 FKBP1A 163/4885POLB 4659/4885LMNA 4427/4885

“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.