SCHEMBL17484533

SCHEMBL17484533

Fc1ccc(OC(F)(F)F)cc1CNC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.46
EPHX1 P07099 1/20 0.45
HTR2C P28335 2/20 0.43
KCNH2 Q12809 4/20 0.42
CYP2D6 P10635 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
ADRB2 P07550 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39

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
SCHEMBL375509 0.85 PARP1 (0.44) TACR1HTR2CKCNH2CYP2D6HTR1A
SCHEMBL1009131 0.80 BCHE (0.60) EPHX1HTR2CBCHEACHEBACE1
SCHEMBL1006996 0.78 CARM1 (0.61) TACR1EPHX1HTR2CBCHEACHE
SCHEMBL31532434 0.76 P2RX7 (0.42) TACR1HTR2CKCNH2CYP2D6HTR1A
SCHEMBL737348 0.74 ALDH1A1 (0.49) HTR1A
SCHEMBL24018765 0.73 ADRB2 (0.46) ADRB2MPOPIM1
SCHEMBL22957678 0.73 ADRB2 (0.49) KCNH2HTR2AADRB2
Trifluoroacetic Acid SCHEMBL5040982 0.72 HTR2C (0.58) EPHX1HTR2CBCHEACHEBACE1
SCHEMBL25145693 0.72 SLC6A4 (0.53) HTR2CSLC6A3BCHEACHEBACE1
SCHEMBL16462754 0.72 NPBWR1 (0.49) BCHEACHEBACE1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TACR1 3062/4885EPHX1 2426/4885HTR2C 4749/4885

“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.