SCHEMBL5899780

SCHEMBL5899780

NCC1(C(=O)O)CC1c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
RCOR1 Q9UKL0 1/20 0.47
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 2/20 0.38
KDM1B Q8NB78 1/20 0.38
KCNN4 O15554 2/20 0.37
MAOB P27338 2/20 0.36
HDAC4 P56524 2/20 0.35
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 1/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL5899781 0.88 HTR2C (0.42) KDM1ARCOR1HTR2CHTR2BGAA
SCHEMBL5899701 0.83 HTR2C (0.38) KDM1ARCOR1HTR2CHTR2BMAOB
SCHEMBL5899779 0.82 KDM1A (0.44) KDM1AKDM1B
SCHEMBL5899787 0.82 HTR2A (0.42) KDM1AHTR2CHTR2BKDM1BHTR2A
SCHEMBL5899803 0.81 SLC6A2 (0.35) KDM1ARCOR1HTR2CMAOBHTR2A
SCHEMBL5899632 0.79 KDM1A (0.47) KDM1AMAOB
SCHEMBL5899615 0.75 KDM1A (0.44) KDM1ARCOR1HTR2CHTR2BHTR2A
SCHEMBL15797670 0.74 KDM1A (0.44) KDM1ARCOR1GAAKDM1BKCNN4
SCHEMBL2594172 0.74 KDM1A (0.44) KDM1ARCOR1HTR2CHTR2BGAA
SCHEMBL5899706 0.74 TAAR1 (0.39) KDM1AMAOBALDH1A1

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 2866/4885HTR2C 285/4885

“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.