SCHEMBL3213607

SCHEMBL3213607

Fc1cccc(C2CCC[N]C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SCD5 Q86SK9 3/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MLYCD O95822 1/20 0.36
RIPK1 Q13546 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NOS3 P29474 1/20 0.35

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
SCHEMBL1364317 0.90 TAAR1 (0.41) TAAR1HCAR2SCD5MAOBMAOA
SCHEMBL777204 0.80 HDAC4 (0.52) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL353609 0.80 HDAC4 (0.47) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL30704252 0.80 HDAC4 (0.52) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL3125074 0.79 MLYCD (0.45) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL27830967 0.78 KMO (0.53) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL2303598 0.78 SLC18A3 (0.42) DRD2DRD3
SCHEMBL130265 0.78 KMO (0.53) TAAR1SCD5HTR2AHTR2CHTR2B
SCHEMBL240786 0.78 SLC18A3 (0.42) DRD2DRD3
Hydrochloric Acid SCHEMBL28067220 0.77 KMO (0.51) TAAR1HTR2AHTR2CHTR2BMLYCD

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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 TAAR1 98/4885HCAR2 15/4885SCD5 2386/4885

“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.