SCHEMBL5899701

SCHEMBL5899701

NCC1(C(=O)O)CC1c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAOB P27338 2/20 0.33
TTR P02766 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DGAT1 O75907 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
ALB P02768 1/20 0.32
AMPD2 Q01433 2/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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 0.84 HTR2C (0.42) HTR2CHTR2BMAOBCES2CES1
SCHEMBL5899780 0.83 KDM1A (0.47) HTR2CHTR2BMAOBKDM1ARCOR1
SCHEMBL5899774 0.78 KDM1A (0.49) HTR2CHTR2BKDM1ARCOR1GRM2
SCHEMBL5899787 0.78 HTR2A (0.42) HTR2CHTR2BCES2CES1KDM1A
SCHEMBL5899632 0.77 KDM1A (0.47) MAOBKDM1A
SCHEMBL5899615 0.76 KDM1A (0.44) HTR2CHTR2BKDM1ARCOR1
SCHEMBL5899618 0.76 EPHX1 (0.35) MAOBGRM2GRM3
SCHEMBL5899779 0.75 KDM1A (0.44) CES2CES1KDM1A
SCHEMBL5899760 0.74 TAAR1 (0.34) MAOBGRM2GRM3
SCHEMBL5899782 0.73 TUBB4A (0.32) CES2CES1KDM1ARCOR1

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 HTR2C 285/4885HTR2B 392/4885MAOB 1967/4885

“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.