SCHEMBL13660620

SCHEMBL13660620

O=C(CCCN1CCCCC1)Nc1ccc([C@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
CHRNA7 P36544 1/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TERT O14746 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL13660613 0.93 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4294069 0.87 HRH3 (0.43) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL4295658 0.86 USP2 (0.43) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL7105672 0.81 HRH3 (0.45) CHRNA7
SCHEMBL13660615 0.81 HRH3 (0.45) CHRNA7
SCHEMBL4304245 0.79 HRH3 (0.44) CHRNA7
SCHEMBL4431339 0.76 HRH3 (0.43) ALDH1A1MEN1KMT2ACHRNA7
SCHEMBL4431333 0.76 HRH3 (0.43) ALDH1A1MEN1KMT2ACHRNA7
SCHEMBL6701198 0.75 HRH3 (0.66)
SCHEMBL4299069 0.75 TGM2 (0.52)

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 2994/4885MEN1 2116/4885KMT2A 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.