SCHEMBL12495697

SCHEMBL12495697

C/C=C(/c1ccccc1)c1cccc2c1N(CC)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGER4 P35408 5/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR1A P08908 1/20 0.34
PTGER2 P43116 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL12495829 0.92 PTGER4 (0.39) HRH3ALDH1A1PTGER4MAPTPTGER2
SCHEMBL6645348 0.80 HRH3 (0.47) HRH3MEN1KMT2AALDH1A1PTGER4
SCHEMBL7096495 0.77 ALDH1A1 (0.45) HRH3MEN1KMT2AALDH1A1PTGER4
SCHEMBL6649352 0.74 HRH3 (0.47) HRH3MEN1KMT2AALDH1A1PTGER4
SCHEMBL11842202 0.73 HRH3 (0.51) HRH3MEN1KMT2AALDH1A1MAPT
SCHEMBL29977549 0.72 HRH3 (0.50) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL7225028 0.72 CXCR5 (0.45) MEN1KMT2AALDH1A1TSHR
SCHEMBL27158593 0.72 HRH3 (0.50) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL9828733 0.71 HRH3 (0.49) HRH3MEN1KMT2AALDH1A1PTGER4
SCHEMBL30487811 0.71 HRH3 (0.49) HRH3MEN1KMT2AALDH1A1PTGER4

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-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-07 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-20110166349-A1 GOLD CATALYZED HYDROAMINATION OF ALKYNES AND ALLENES AOC3, AOC2, AOC1 HRH3 30/4885MEN1 2735/4885KMT2A 984/4885

“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.