SCHEMBL5935271

SCHEMBL5935271

C1CNCC(N2CCC(N3CCNCC3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
OPRL1 P41146 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ARG1 P05089 1/20 0.32

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
SCHEMBL1851727 0.94 HTR6 (0.76) HTR6SMN1; SMN2KMT2AHPGDHRH3
SCHEMBL16878234 0.92 HTR6 (0.54) HTR6SMN1; SMN2KMT2AHPGDOPRM1
SCHEMBL30055070 0.90 HTR6 (0.64) HTR6SMN1; SMN2KMT2AHPGDOPRM1
SCHEMBL31136019 0.89 HTR6 (0.69) HTR6SMN1; SMN2KMT2AHPGDOPRM1
SCHEMBL9557617 0.88 HTR6 (0.80) HTR6SMN1; SMN2KMT2AHPGDOPRM1
SCHEMBL514709 0.87
SCHEMBL16556580 0.87
SCHEMBL4466359 0.86 HTR6 (0.59) HTR6SMN1; SMN2KMT2AHPGDL3MBTL3
SCHEMBL24185129 0.85 HTR6 (0.53) HTR6KMT2AOPRM1OPRK1OPRL1
SCHEMBL29854999 0.84 HTR6 (0.74) HTR6SMN1; SMN2KMT2AHPGDL3MBTL3

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-20060252747-A1 Substitituted 1-piperidin-3-yl-piperidin 4-yl-piperazine derivatives and their use as neurokinin auantagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-09 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-20060252747-A1 Substitituted 1-piperidin-3-yl-piperidin 4-yl-piperazine derivatives and their use as neurokinin auantagonists NPSR1, VIP, VIPR2 HTR6 539/4885SMN1; SMN2 534/4885KMT2A 436/4885

“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.