SCHEMBL14733337

SCHEMBL14733337

CN1CCN(c2nc(Br)cc3ccoc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HRH4 Q9H3N8 9/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL4766526 0.85 HTT (0.42) HRH4TSHRCYP2D6HTTALDH1A1
SCHEMBL31299054 0.80 SCN10A (0.34)
SCHEMBL3675952 0.77 HRH4 (0.56) ALOX15HRH4USP2CYP1A2ALDH1A1
SCHEMBL31299164 0.77 MBOAT4 (0.33)
SCHEMBL2329668 0.73 ALOX15 (0.37) ALOX15HRH4HRH1HRH3
SCHEMBL2331812 0.73 HRH4 (0.38) HRH4HRH1HRH3
SCHEMBL2365579 0.72 TSHR (0.41) HRH4TSHRMAPK1ALDH1A1POLB
SCHEMBL12444826 0.72 TSHR (0.39) HRH4TSHRMAPK1
SCHEMBL10514464 0.71 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL14716849 0.71 TSHR (0.38) HRH4TSHRMAPK1

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-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A ALOX15 485/4885HRH4 350/4885TSHR 279/4885

“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.