SCHEMBL5899803

SCHEMBL5899803

CCc1ccccc1C1CC1(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM1A O60341 9/20 0.34
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
HTR2A P28223 1/20 0.34
RCOR1 Q9UKL0 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL5899780 0.81 KDM1A (0.47) HTR2CKDM1AMAOBHTR2ARCOR1
SCHEMBL5899632 0.78 KDM1A (0.47) MAPK1KDM1AMAOAMAOB
SCHEMBL5899781 0.75 HTR2C (0.42) HTR2CKDM1AMAOBRCOR1
SCHEMBL28518913 0.74 KDM1A (0.39) SLC6A2SLC6A4CYP2D6KDM4EMAPK1
SCHEMBL20547542 0.70 KDM1A (0.64) KDM1AMAOAMAOBRCOR1
SCHEMBL5899701 0.70 HTR2C (0.38) HTR2CKDM1AMAOBRCOR1
SCHEMBL5899779 0.70 KDM1A (0.44) KDM1A
SCHEMBL5899787 0.70 HTR2A (0.42) SLC6A2SLC6A4HTR2CKDM1AHTR2A
SCHEMBL11700667 0.68 KDM1A (0.51) MAPK1KDM1AMAOAMAOB
SCHEMBL1943935 0.68 KDM1A (0.51) MAPK1KDM1AMAOAMAOB

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
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US claimed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP claimed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 US claimed
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 SLC6A2 328/4885SLC6A4 247/4885SLC6A3 303/4885

“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.