SCHEMBL21094261

SCHEMBL21094261

C1CN(N2CCN([C@@H]3CCNC3)CC2)CCN1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
KHK P50053 4/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.31

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
SCHEMBL9558262 0.87 HTR6 (0.68) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL1400723 0.87 HTR6 (0.56) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL21094077 0.86 HTR6 (0.57) HTR6KHK
SCHEMBL31208620 0.82 HTR6 (0.56) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL29316993 0.82 HTR6 (0.56) HTR6KHKHTR2CHTR2B
SCHEMBL24684499 0.79 HTR6 (0.70) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL4466359 0.79 HTR6 (0.59) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL19217231 0.78 HTR6 (0.42) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL4821430 0.78 HTR6 (0.45) HTR6KHKHPGDKMT2ASMN1; SMN2
SCHEMBL238942 0.78 HTR6 (0.75) HTR6KHKHTR2CHTR2B

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-20190177288-A1 INTERMEDIATES AND PROCESS FOR PREPARING INTERMEDIATES IN THE PRODUCTION OF SUBSTITUTED PYRAZOLOPYRIDINES ADVERIO PHARMA GMBH (DE) 2019-06-13 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-20190177288-A1 INTERMEDIATES AND PROCESS FOR PREPARING INTERMEDIATES IN THE PRODUCTION OF SUBSTITUTED PYRAZOLOPYRIDINES CYP3A5, CYP4F2, CYP2F1 HTR6 1693/4885KHK 182/4885HPGD 63/4885

“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.