SCHEMBL20109493

SCHEMBL20109493

Cc1ccccc1C[C@@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.55
POLB P06746 1/20 0.53
HTR2A P28223 2/20 0.47
GHSR Q92847 3/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL1485223 1.00 HTR6 (0.55) HTR6POLBHTR2AGHSRCHRNB4
SCHEMBL478235 0.95 POLB (0.60) HTR6POLBHTR2AGHSR
SCHEMBL23459399 0.93 POLB (0.58) HTR6POLBHTR2AGHSR
SCHEMBL22455764 0.83 HTR6 (0.55) HTR6POLBHTR2ACHRNB4CHRNA3
SCHEMBL31189119 0.81 POLB (0.50) HTR6POLBHTR2ACHRNB4CHRNA3
SCHEMBL6800803 0.80 HTR6 (0.46) HTR6POLBHTR2A
SCHEMBL18019790 0.79 HTR6 (0.55) HTR6POLBHTR2AGHSR
SCHEMBL6796105 0.79 HTR6 (0.55) HTR6POLBHTR2AGHSR
SCHEMBL469052 0.79 HTR2A (0.61) HTR6POLBHTR2A
SCHEMBL18019793 0.79 HTR6 (0.55) HTR6POLBHTR2AGHSR

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-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD HTR6 3568/4885POLB 546/4885HTR2A 3436/4885

“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.