SCHEMBL13660613

SCHEMBL13660613

O=C(CCN1CCCCC1)Nc1ccc([C@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
LMNA P02545 2/20 0.53
TERT O14746 8/20 0.53
GLA P06280 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL13660620 0.93 ALDH1A1 (0.48) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL4294069 0.84 HRH3 (0.43) ALDH1A1KMT2AMEN1MAPTALOX15
SCHEMBL4295658 0.83 USP2 (0.43) ALDH1A1KMT2AMEN1MAPTALOX15
SCHEMBL13660617 0.78 HRH3 (0.41) ALDH1A1KMT2AMAPTLMNATSHR
SCHEMBL13660615 0.78 HRH3 (0.45) TSHR
SCHEMBL7105672 0.78 HRH3 (0.45) TSHR
SCHEMBL4431339 0.77 HRH3 (0.43) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4431333 0.77 HRH3 (0.43) ALDH1A1KMT2AMEN1LMNA
SCHEMBL4299069 0.76 TGM2 (0.52) LMNA
SCHEMBL4299067 0.76 TGM2 (0.52) LMNA

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-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 ALDH1A1 2994/4885POLB 4060/4885KMT2A 1231/4885

“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.