SCHEMBL6134512

SCHEMBL6134512

C1CCC(N2CCCNCC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.63
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PDE7A Q13946 1/20 0.39
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
SLC18A3 Q16572 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
RAD52 P43351 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9902700 1.00 HTR6 (0.63) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL31598665 0.98 HTR6 (0.61) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL1507120 0.98 HTR6 (0.65) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL11166747 0.95 HTR6 (0.56) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL477067 0.93 HTR6 (0.67) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL455527 0.93 HTR6 (0.67) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL28008874 0.93 HTR6 (0.67) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL524430 0.93 HTR6 (0.59) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL451992 0.93 HTR6 (0.64) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL1267270 0.93 HTR6 (0.64) HTR6HPGDKMT2ASMN1; SMN2HRH3

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-20140275010-A1 QUATERNARY SALTS ZHENG GUO ZHU (US) 2014-09-18 US disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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 (2 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 HTR6 4847/4885HPGD 3433/4885KMT2A 4492/4885
US-20140275010-A1 QUATERNARY SALTS TP53, VHL, SF3B5 HTR6 4806/4885HPGD 2532/4885KMT2A 1098/4885

“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.