SCHEMBL6737982

SCHEMBL6737982

O=C(O)[C@]1(OCc2ccccc2)CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL8126802 1.00 DDB1 (0.40) DDB1CRBNSLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL5862748 0.98 DDB1 (0.39) DDB1CRBNSLC1A3SLC1A2SLC1A1
SCHEMBL9763836 0.95 ALDH1A1 (0.40) DDB1CRBNSLC1A3SLC1A2SLC1A1
SCHEMBL5635258 0.85 ALDH1A1 (0.42) DDB1CRBNALDH1A1
SCHEMBL7339530 0.85 TDP1 (0.39) KMT2AMEN1ALDH1A1GLASLC6A2
SCHEMBL11435272 0.84 DDB1 (0.41) DDB1CRBNKMT2AALDH1A1GLA
SCHEMBL7313309 0.80 FFAR4 (0.38) DDB1CRBNGLASLC6A3MAPK1
SCHEMBL376160 0.80 AKT1 (0.36) DDB1CRBNL3MBTL1TACR1
SCHEMBL8690093 0.77 KMT2A (0.40) KMT2AMEN1SLC6A2SLC6A3SLC6A4
SCHEMBL7341358 0.76 AKR1C1 (0.38) KMT2AMEN1ALDH1A1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023563-A1 AMIDINOANILINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2013-01-24 US disclosed
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US disclosed
CN-1353701-A Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO MCNEIL PHARM INC (US) 2002-06-12 CN disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 WO disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 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-20130023563-A1 AMIDINOANILINE DERIVATIVE F11, SERPINC1, F8 DDB1 4469/4885CRBN 4746/4885SLC1A3 1879/4885
US-20030096759-A1 Novel elastase inhibitors ELANE, SERPINB1, MMP8 DDB1 1965/4885CRBN 3098/4885SLC1A3 4174/4885

“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.