SCHEMBL5899774

SCHEMBL5899774

NCC1(C(=O)O)CC1c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.49
RCOR1 Q9UKL0 1/20 0.49
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GRIN2B Q13224 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL5899782 0.85 TUBB4A (0.32) KDM1ARCOR1
SCHEMBL5899632 0.83 KDM1A (0.47) KDM1A
SCHEMBL5899615 0.82 KDM1A (0.44) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL5899787 0.80 HTR2A (0.42) KDM1AHTR2AHTR2CHTR2BSLC6A2
SCHEMBL5899701 0.78 HTR2C (0.38) KDM1ARCOR1HTR2CHTR2BGRM2
SCHEMBL5899779 0.77 KDM1A (0.44) KDM1AMEN1KMT2A
SCHEMBL4134001 0.75 KDM1A (0.47) KDM1ARCOR1HTR2AHTR2CHTR2B
SCHEMBL5899610 0.75 SLC1A1 (0.41) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL28316797 0.75 KDM1A (0.46) KDM1ARCOR1NPC1PKMHSD11B1
SCHEMBL5899781 0.74 HTR2C (0.42) KDM1ARCOR1HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1764634-A Cyclopropyl beta-amino acid derivatives WARNER LAMBERT CO (US) 2006-04-26 CN disclosed
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO 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 4031/4885RCOR1 2866/4885HTR2A 235/4885

“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.