SCHEMBL5899779

SCHEMBL5899779

NCC1(C(=O)O)CC1c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
KDM1B Q8NB78 1/20 0.44
DPP4 P27487 6/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5899787 0.89 HTR2A (0.42) KDM1AKDM1BCES2CES1
SCHEMBL5899780 0.82 KDM1A (0.47) KDM1AKDM1B
SCHEMBL5899615 0.79 KDM1A (0.44) KDM1AMEN1KMT2A
SCHEMBL5899781 0.77 HTR2C (0.42) KDM1ACES2CES1
SCHEMBL5899774 0.77 KDM1A (0.49) KDM1AMEN1KMT2A
SCHEMBL5899782 0.76 TUBB4A (0.32) KDM1ACES2CES1
SCHEMBL5899751 0.75 DPP4 (0.37) DPP4
SCHEMBL5899701 0.75 HTR2C (0.38) KDM1ACES2CES1
SCHEMBL5899748 0.73 DPP4 (0.36) DPP4
SCHEMBL5899791 0.72 TRPA1 (0.40) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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 (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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B KDM1A 4031/4885KDM1B 4311/4885DPP4 1351/4885

“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.