SCHEMBL3242385

SCHEMBL3242385

[CH2]c1ccc(CN(C)Cc2ccc(CN3CCCCC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.68
ALDH1A1 P00352 4/20 0.58
HRH4 Q9H3N8 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
CXCR4 P61073 2/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3240187 0.98 HRH3 (0.66) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL3240482 0.87 HRH3 (0.60) HRH3ALDH1A1KDM4ECXCR4CYP2D6
SCHEMBL2265992 0.86 HRH3 (0.78) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL4429235 0.86 HRH3 (0.78) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL1334239 0.84 HRH3 (0.75) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL302270 0.84 HRH3 (0.74) HRH3ALDH1A1HRH4KDM4ECXCR4
SCHEMBL4277270 0.76 HRH3 (1.00) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL19582018 0.75 LMNA (0.67) HRH3ALDH1A1KDM4E
SCHEMBL4764364 0.75 HRH3 (0.78) HRH3ALDH1A1HRH4KDM4EMEN1
SCHEMBL3245523 0.75 NCF1 (0.55) HRH3ALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HRH3 2578/4885ALDH1A1 2115/4885HRH4 872/4885

“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.