SCHEMBL5899736

SCHEMBL5899736

NCC1(C(=O)O)CC1Cc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
GRIN2B Q13224 2/20 0.35
P2RX7 Q99572 3/20 0.35
DPP4 P27487 1/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
C3AR1 Q16581 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5899706 0.89 TAAR1 (0.39) MEN1ALDH1A1KMT2ACPB2
SCHEMBL5899805 0.87 FFAR4 (0.36) FFAR4GRIN2BP2RX7DPP4RIPK1
SCHEMBL5899618 0.85 EPHX1 (0.35) GRIN2BKMT2A
SCHEMBL5899751 0.78 DPP4 (0.37) DPP4RIPK1ALDH1A1
SCHEMBL5899659 0.78 TAAR1 (0.44) MEN1ALDH1A1KMT2ACPB2
SCHEMBL5899760 0.77 TAAR1 (0.34) FFAR4GRIN2BKMT2ACPB2
SCHEMBL5899610 0.76 SLC1A1 (0.41) HTR2CHTR2B
SCHEMBL5899749 0.75 SLC6A4 (0.40) HTR2CALDH1A1CPB2
SCHEMBL5899781 0.75 HTR2C (0.42) FFAR4RIPK1GAACES2BCHE
SCHEMBL5899701 0.73 HTR2C (0.38) CES2CES1HTR2CHTR2B

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 FFAR4 535/4885GRIN2B 48/4885P2RX7 578/4885

“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.