SCHEMBL3208256

SCHEMBL3208256

FC(c1ccccc1)N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.63
CYP2C19 P33261 6/20 0.63
CYP2D6 P10635 6/20 0.63
KCNA5 P22460 6/20 0.63
CYP3A4 P08684 5/20 0.63
CYP2C9 P11712 5/20 0.63
KCNH2 Q12809 4/20 0.63
KCNE1 P15382 2/20 0.63
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 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
SCHEMBL947506 0.79 CYP2D6 (0.66) CYP2C19CYP2D6CYP3A4KCNH2TSHR
SCHEMBL31010271 0.79 KCNA5 (0.77) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
SCHEMBL1934346 0.79 MEN1 (0.66) CYP1A2CYP2C19CYP2D6CYP2C9KCNH2
SCHEMBL28041982 0.78 CYP2D6 (0.39) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
Hydrochloric Acid SCHEMBL27495835 0.78 MEN1 (0.63) CYP1A2CYP2C19CYP2D6CYP2C9KCNH2
SCHEMBL16227210 0.77 KCNA5 (1.00) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
SCHEMBL16227209 0.77 KCNA5 (1.00) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
SCHEMBL5267415 0.77 CYP2D6 (0.68) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
SCHEMBL16226493 0.77 KCNA5 (1.00) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4
Hydrochloric Acid SCHEMBL31327366 0.76 CYP2D6 (0.65) CYP1A2CYP2C19CYP2D6KCNA5CYP3A4

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-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
US-20060264463-A1 Chemical compounds MEDTECH CONVERGENCE FUND, L.P. 2006-11-23 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 (2 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-20060264463-A1 Chemical compounds CCR3, CCR1, CCR4 CYP1A2 680/4885CYP2C19 1116/4885CYP2D6 1102/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 CYP1A2 515/4885CYP2C19 321/4885CYP2D6 300/4885

“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.