SCHEMBL10249762

SCHEMBL10249762

CCn1c(-c2ccc(N)cc2)c(N)c2ccc(OCCCN3CCCCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.49
KCNH2 Q12809 2/20 0.48
ADRA1A P35348 1/20 0.48
ESR1 P03372 1/20 0.46
HRH1 P35367 1/20 0.46
MAOB P27338 2/20 0.45
HTR3A P46098 2/20 0.44

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 0.92 HRH3 (0.46) HRH3KCNH2ADRA1A
SCHEMBL10249721 0.90 RAB9A (0.40) HRH3KCNH2ADRA1AESR1HRH1
SCHEMBL12334400 0.86 HRH3 (0.51) HRH3KCNH2ADRA1AESR1HRH1
SCHEMBL10097367 0.84 HRH3 (0.44) HRH3KCNH2ADRA1AHRH1HTR3A
SCHEMBL10097289 0.84 HRH3 (0.48) HRH3KCNH2ADRA1AESR1
SCHEMBL13151973 0.84 HRH3 (0.43) HRH3KCNH2ADRA1AHTR3A
SCHEMBL10097292 0.83 HRH3 (0.46) HRH3KCNH2ADRA1AESR1
SCHEMBL13152603 0.82 MAPT (0.44) MAOB
SCHEMBL13151837 0.82 GRIK2 (0.41) MAOB
SCHEMBL13152111 0.82 GRIK2 (0.38) MAOB

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 HRH3 976/4885KCNH2 3873/4885ADRA1A 3085/4885

“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.