SCHEMBL5792142

SCHEMBL5792142

COC(=O)CCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 17/20 0.73
SLC6A4 P31645 4/20 0.72
SPR P35270 1/20 0.62
NOTUM Q6P988 2/20 0.62
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62

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
SCHEMBL351449 0.92 MPO (0.69) MPOSLC6A4SPRNOTUMMTNR1A
SCHEMBL16433186 0.88 CYP1A2 (0.70) MPOSLC6A4SPRNOTUMMTNR1A
SCHEMBL20441315 0.86 MPO (0.67) MPOSLC6A4SPRNOTUMMTNR1A
SCHEMBL5792523 0.85 MPO (0.78) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL27602982 0.85 SLC6A4 (0.59) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL7238856 0.85 GFER (0.66) MPOSLC6A4MTNR1AMTNR1B
SCHEMBL5203631 0.84 MPO (0.80) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL3695233 0.84 MPO (1.00) MPOSLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL3229556 0.84 TSHR (0.69) MPOSLC6A4SPRNOTUMMTNR1A
SCHEMBL2405088 0.82 MPO (0.67) MPOSLC6A4SPRNOTUMMTNR1A

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
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 MPO 4464/4885SLC6A4 32/4885SPR 3753/4885

“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.