SCHEMBL1678646

SCHEMBL1678646

O=C1C(=O)N2CCNCCNCCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HTR3E A5X5Y0 4/20 0.41
HTR3B O95264 4/20 0.41
HTR3A P46098 4/20 0.41
HTR3D Q70Z44 4/20 0.41
HTR3C Q8WXA8 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
LMNA P02545 1/20 0.41
HRH1 P35367 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLD1 Q13393 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL1678359 0.84 CHRNB2 (0.40) CHRM2CHRM1HRH1USP2SMN1; SMN2
SCHEMBL5551088 0.83 ADRB1 (0.43) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL13992726 0.80 ADRB1 (0.36) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL16749981 0.77 ADRB1 (0.35) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6423838 0.72 CHRM2 (0.31) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL28620324 0.65
SCHEMBL8064202 0.63 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2TDP1KDM4E
SCHEMBL1843440 0.63 CXCR4 (0.77) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL15748040 0.63 HRH1 (0.61) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1229731 0.63 HRH1 (0.85) ADRB1ALDH1A1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087229-A1 LIGAND COMPOUND OF QUINOLINE STRUCTURE, RADIOACTIVE OR NON-RADIOACTIVE MARKER, AND USE 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
WO-2025087466-A2 LIGAND COMPOUND OF QUINOLINE STRUCTURE, AND RADIOACTIVE OR NON-RADIOACTIVE MARKER THEREOF AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-05-01 WO disclosed
US-7928096-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-19 US disclosed
US-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HE (US) 2009-03-12 US disclosed
US-7468435-B2 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-23 US disclosed
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same THE GOVERNMENT OF THE USA, AS REP. BY THE SECRETARY, DEPT. OF HEALTH & HUMAN SERVICES (US) 2005-07-07 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-20090068248-A1 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME NOS2, ARG2, NOS1 ADRB1 1787/4885CHRM2 15/4885CHRM4 287/4885
US-20050148566-A1 Polydiazeniumdiolated cyclic polyamines with polyphasic nitric oxide release and related compounds, compositions comprising same and methods of using same NOS2, ARG2, NOS1 ADRB1 1787/4885CHRM2 15/4885CHRM4 287/4885

“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.