SCHEMBL12045361

SCHEMBL12045361

CCC(=O)n1c(N(C)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)nccc1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.68
KCNH2 Q12809 11/20 0.68
CHRM1 P11229 8/20 0.68
ADRA2A P08913 1/20 0.68
HTR2B P41595 1/20 0.68
PDE4D Q08499 1/20 0.68
PDE3A Q14432 1/20 0.68
CYP2D6 P10635 18/20 0.67
CYP3A4 P08684 1/20 0.49

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
SCHEMBL826746 0.94 HRH1 (0.65) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045374 0.94 HRH1 (0.67) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045414 0.93 HRH1 (0.66) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045379 0.92 HRH1 (0.65) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL826804 0.92 HRH1 (0.69) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045390 0.92 HRH1 (0.69) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL826754 0.92 HRH1 (0.62) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL826821 0.92 HRH1 (0.64) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045419 0.92 HRH1 (0.67) HRH1KCNH2CHRM1ADRA2AHTR2B
SCHEMBL12045358 0.91 HRH1 (0.62) HRH1KCNH2CHRM1ADRA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 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 (3 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-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 HRH1 620/4885KCNH2 2776/4885CHRM1 2813/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 HRH1 620/4885KCNH2 2776/4885CHRM1 2813/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 HRH1 620/4885KCNH2 2776/4885CHRM1 2813/4885

“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.