SCHEMBL10249721

SCHEMBL10249721

CCn1c(-c2ccc(N)cc2)c(N)c2ccc(OCCCN3CCSCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 12/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR5A P47898 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL10249587 0.90 HRH3 (0.46) RAB9AMAPK1HRH3ADRA1AKCNH2
SCHEMBL10249762 0.90 HRH3 (0.49) HRH3ADRA1AKCNH2ESR1HRH1
SCHEMBL10097291 0.85 HRH3 (0.40) HRH3KCNH2HRH2HRH1
SCHEMBL10249443 0.82 LTA4H (0.47) RAB9AADRA1AHTR5AESR1ESR2
SCHEMBL13152111 0.80 GRIK2 (0.38) RAB9AMAPK1NPC1
SCHEMBL13151837 0.80 GRIK2 (0.41) MAPK1
SCHEMBL13152603 0.80 MAPT (0.44) MAPK1
SCHEMBL10097401 0.79 JAK1 (0.39) HRH3ESR1ESR2
SCHEMBL10253105 0.79 MET (0.41) ADRA1ADRD3HRH2HRH1
SCHEMBL12334400 0.79 HRH3 (0.51) HRH3ADRA1AKCNH2ESR1HRH2

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS RAB9A 3975/4885MAPK1 4384/4885HRH3 976/4885

“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.