SCHEMBL4029370

SCHEMBL4029370

CCCOc1ccc(I)cc1C(=O)NC(C)(O)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
SLC6A4 P31645 3/20 0.41
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
MPO P05164 9/20 0.40
TSHR P16473 1/20 0.40
SPR P35270 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL5149351 0.88 ANO1 (0.41) ANO1
SCHEMBL4031721 0.85 HTR1A (0.39) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4035538 0.83 ADAM17 (0.38) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL3935484 0.82 HTR2A (0.41) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4033963 0.81 MPO (0.46) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4034241 0.80 ADAM17 (0.36) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4035244 0.77 SCN8A (0.39) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4029367 0.76 SCN8A (0.38) HTR1ASLC6A4NOTUMMTNR1AMTNR1B
SCHEMBL4034270 0.75 KMT2A (0.46) ANO1
SCHEMBL5149429 0.73 KDM4E (0.40)

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
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R HTR1A 8/4885SLC6A4 378/4885NOTUM 2978/4885

“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.