SCHEMBL7450665

SCHEMBL7450665

CC(C)CC(N)c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
AAK1 Q2M2I8 12/20 0.44
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL3377059 1.00 TAAR1 (0.47) TAAR1AAK1MMP1MMP3MMP7
SCHEMBL7407227 1.00 TAAR1 (0.47) TAAR1AAK1MMP1MMP3MMP7
SCHEMBL1306359 0.82
SCHEMBL7416391 0.82
Hydrochloric Acid SCHEMBL18689306 0.80 TXN (0.40) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL7738284 0.79 MMP1 (0.42) TAAR1MMP1MMP3MMP7ADRA2A
SCHEMBL2576594 0.79
SCHEMBL1905054 0.79
SCHEMBL7421789 0.78 FPR2 (0.41) ADRA2AADRA2BADRA2CALDH1A1SMN1; SMN2
SCHEMBL2929069 0.78 FPR2 (0.41) ADRA2AADRA2BADRA2CALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
CN-1233237-A Heteroaryl succinamides and their use as metalloproteinase inhibitors AGOURON PHARMA (US) 1999-10-27 CN disclosed
EP-0828732-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-03-18 EP disclosed
US-5698706-A BLOCKING TUMOR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1997-12-16 US disclosed
WO-1996035687-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 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 (1 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 TAAR1 4474/4885AAK1 4671/4885MMP1 8/4885

“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.