SCHEMBL5447992

SCHEMBL5447992

CN(C)c1nc(N[C@H]2CCC[C@H](NCc3ccc(Cl)c(Cl)c3)C2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.56
▸ ADRA2A P08913 13/20 0.56
▸ HTR1A P08908 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ NPY5R Q15761 1/20 0.43

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
SCHEMBL13797314 0.91 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13795506 0.82 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13796262 0.81 MCHR1 (0.63) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13794773 0.81 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5529927 0.80 MCHR1 (0.66) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4538453 0.80 MCHR1 (0.71) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5529932 0.80 MCHR1 (0.66) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4538451 0.80 MCHR1 (0.71) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13797292 0.80 MCHR1 (0.56) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL25867227 0.80 MCHR1 (0.55) MCHR1ADRA2AHTR1AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 — — US claimed
US-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 — — 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-20070185119-A1 Therapeutic agents II HTT, ACHE, GPR119 MCHR1 968/4885ADRA2A 702/4885HTR1A 196/4885

“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.

Send feedback