SCHEMBL13660548

SCHEMBL13660548

c1cc(Sc2ccc([C@@H]3CCC[C@@H]4CCCN43)cc2)ccn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.82
DDAH1 O94760 1/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SCD O00767 1/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA2 Q15822 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
PSIP1 O75475 1/20 0.33
TRPA1 O75762 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNA1 P02708 1/20 0.33

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
SCHEMBL4297369 1.00 HRH3 (0.82) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL4300745 0.96 HRH3 (0.90) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL6699692 0.90 HRH3 (1.00) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL4294036 0.90 HRH3 (1.00) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL4424834 0.90 HRH3 (1.00) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL6701750 0.90 HRH3 (1.00) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL4294039 0.90 HRH3 (1.00) HRH3DDAH1NOS1ALDH1A1MAPT
SCHEMBL13660560 0.84 HRH3 (0.59) HRH3MAPTMEN1KMT2A
SCHEMBL4295497 0.84 HRH3 (0.59) HRH3MAPTMEN1KMT2A
SCHEMBL13660549 0.79 HRH3 (0.53) HRH3ALDH1A1MAPTLMNAMEN1

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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885DDAH1 826/4885NOS1 421/4885

“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.