SCHEMBL16669269

SCHEMBL16669269

C1CN=C2CCNCCN2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.59
USP2 O75604 2/20 0.59
HRH1 P35367 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
PLD1 Q13393 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 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
SCHEMBL9631623 0.84 INMT (0.53) INMTUSP2HRH1SMN1; SMN2TDP1
Pyrrolidine SCHEMBL286006 0.81 INMT (0.78) INMTUSP2HRH1SMN1; SMN2TDP1
Piperidine SCHEMBL17713174 0.81 INMT (0.78) INMTUSP2HRH1SMN1; SMN2TDP1
SCHEMBL17417845 0.78
SCHEMBL9387445 0.78
SCHEMBL2927 0.78
Ammonia Solution, Strong SCHEMBL23880360 0.76 INMT (0.78) INMTUSP2ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL10432356 0.76 INMT (0.78) INMTUSP2ALDH1A1SIGMAR1
Ammonia Solution, Strong SCHEMBL6834960 0.76 INMT (0.78) INMTUSP2ALDH1A1SIGMAR1
SCHEMBL29707902 0.76 INMT (0.78) INMTUSP2ALDH1A1SIGMAR1

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-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2015-04-30 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-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 INMT 3079/4885USP2 701/4885HRH1 2335/4885

“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.