SCHEMBL9328951

SCHEMBL9328951

CC(C)(C)C(=O)Oc1ccc(CCN)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.69
TAAR1 Q96RJ0 2/20 0.52
MAOB P27338 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4888012 0.84 ELANE (0.71) ELANE
SCHEMBL18566937 0.83 ELANE (0.69) ELANE
SCHEMBL10483720 0.82 ELANE (1.00) ELANEKMT2A
SCHEMBL22369614 0.81 ELANE (0.86) ELANE
SCHEMBL3657615 0.80 ELANE (0.76) ELANEKMT2A
SCHEMBL16189796 0.80 ELANE (0.76) ELANEALDH1A1
SCHEMBL12569396 0.80 TAAR1 (0.57) ELANETAAR1MAOBKDM4EALDH1A1
SCHEMBL3657617 0.80 ELANE (0.76) ELANE
SCHEMBL23836711 0.80 ELANE (0.65) ELANE
SCHEMBL29264689 0.80 TAAR1 (0.55) TAAR1MAOBKDM4EALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-16 US disclosed
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-16 US disclosed
US-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-04 US disclosed
WO-2019010441-A1 EVOLUTION BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 WO disclosed
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP 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-20200172896-A1 EVOLUTION OF BIOACTIVE SEQUENCE-DEFINED SYNTHETIC POLYMERS USING DNA-TEMPLATED POLYMERIZATION PCSK9, IL6, PCSK6 ELANE 972/4885TAAR1 4263/4885MAOB 2973/4885
US-11649451-B2 Evolution of bioactive sequence-defined synthetic polymers using DNA-templated polymerization PCSK9, IL6, PCSK6 ELANE 972/4885TAAR1 4263/4885MAOB 2973/4885

“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.