SCHEMBL13801432

SCHEMBL13801432

C1CCC(N2CCC(N3CCNCC3)CC2)CC1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.59
OPRM1 P35372 5/20 0.46
OPRL1 P41146 4/20 0.46
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
OGFRL1 Q5TC84 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
SLC18A3 Q16572 1/20 0.42
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL1267270 0.95 HTR6 (0.64) HTR6OPRM1OPRL1OPRD1OPRK1
SCHEMBL43171 0.95 HTR6 (0.64) HTR6OPRM1OPRL1OPRD1OPRK1
SCHEMBL451992 0.95 HTR6 (0.64) HTR6OPRM1OPRL1OPRD1OPRK1
SCHEMBL943337 0.95 HTR6 (0.64) HTR6OPRM1OPRL1OPRD1OPRK1
SCHEMBL28809524 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1
SCHEMBL8695162 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6499302 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1
Piperazine SCHEMBL27903046 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL572044 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1
Water SCHEMBL14860181 0.93 HTR6 (0.61) HTR6OPRM1OPRL1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HTR6 569/4885OPRM1 10/4885OPRL1 73/4885

“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.