SCHEMBL13660635

SCHEMBL13660635

c1cc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PABPC1 P11940 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KCNH3 Q9ULD8 2/20 0.35
PKM P14618 1/20 0.35
NAMPT P43490 2/20 0.35
EPHX1 P07099 1/20 0.34
CSF1R P07333 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
SCHEMBL4294095 1.00 HRH3 (0.60) HRH3KDM4EMAPTALOX12HTT
SCHEMBL4295378 0.88 HRH3 (0.47) HRH3MAPTALOX12HTTGAA
SCHEMBL13660634 0.88 HRH3 (0.47) HRH3MAPTALOX12HTTGAA
SCHEMBL13660627 0.86 HRH3 (0.50) HRH3KDM4EMAPTMEN1KMT2A
SCHEMBL4290390 0.86 HRH3 (0.50) HRH3KDM4EMAPTMEN1KMT2A
SCHEMBL6382452 0.83 HRH3 (0.44) HRH3KDM4EMAPTALOX12HTT
SCHEMBL13660636 0.83 HRH3 (0.44) HRH3KDM4EMAPTALOX12HTT
SCHEMBL4430247 0.83 HRH3 (0.67) HRH3KDM4EHTTMEN1KMT2A
SCHEMBL4430239 0.83 HRH3 (0.67) HRH3KDM4EHTTMEN1KMT2A
SCHEMBL4430244 0.83 HRH3 (0.67) HRH3KDM4EHTTMEN1KMT2A

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 7/4885KDM4E 2041/4885MAPT 1113/4885

“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.