SCHEMBL496350

SCHEMBL496350

CCNC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](N)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.57
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
FKBP1A P62942 1/20 0.41
ACE P12821 1/20 0.41
KLK5 Q9Y337 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
SCHEMBL4695244 1.00 F2 (0.57) F2ALDH1A1SMN1; SMN2ADORA3ADORA2A
Hydrochloric Acid SCHEMBL495561 0.99 F2 (0.59) F2ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL7290804 0.90 F2 (0.68) F2ALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL8241847 0.87 F2 (0.52) F2ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL495815 0.87 F2 (0.52) F2ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL495583 0.86 F2 (0.54) F2ALDH1A1SMN1; SMN2ADORA3ADORA2A
Hydrochloric Acid SCHEMBL495585 0.86 F2 (0.54) F2ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL7292641 0.86 F2 (0.53) F2ALDH1A1ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL496048 0.85 F2 (0.53) F2ADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL4788845 0.85 F2 (0.53) F2ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 F2 3381/4885ALDH1A1 1241/4885SMN1; SMN2 3841/4885

“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.