SCHEMBL2587951

SCHEMBL2587951

C[C@@H]([NH])c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
DAO P14920 1/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
HTR2C P28335 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ACP3 P15309 2/20 0.47
CES2 O00748 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 1/20 0.43
SLC6A4 P31645 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL5139427 1.00 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL2601113 0.83 DAO (0.59) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL255035 0.83 PNMT (0.55) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL23343776 0.82 PNMT (0.53) PNMTDAOHTR2AHTR2BHTR2C
Ammonia Solution, Strong SCHEMBL27629775 0.82 PNMT (0.53) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL7336199 0.82 PNMT (0.53) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL22189207 0.81 PNMT (0.56) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL10157207 0.80 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL1535283 0.80 PNMT (0.61) PNMTDAOHTR2AHTR2BHTR2C
SCHEMBL22497538 0.80 PNMT (0.51) PNMTDAOHTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PNMT 730/4885DAO 955/4885HTR2A 2824/4885

“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.