SCHEMBL20042166

SCHEMBL20042166

CN(C)c1cc(Oc2ccc(F)cc2)nc(N2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.46
SLC6A4 P31645 11/20 0.46
SLC6A3 Q01959 11/20 0.46
HTR1A P08908 1/20 0.45
SCN9A Q15858 3/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
UBE2N P61088 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
Hydrochloric Acid SCHEMBL23197974 0.99 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1ASCN9A
SCHEMBL18162441 0.86 L3MBTL1 (0.40) SLC6A2SLC6A4SLC6A3SCN9ALMNA
SCHEMBL23221564 0.82 MEN1 (0.39) SLC6A2SLC6A4SLC6A3SCN9ALMNA
SCHEMBL18153270 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1ASCN9A
SCHEMBL5987820 0.80 CASP1 (0.53) KMT2AKDM4EALDH1A1POLBGAA
SCHEMBL18162572 0.80 PKM (0.58) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL5988501 0.79 HTR2C (0.46) HTR1AKMT2AKDM4EALDH1A1POLB
SCHEMBL23221514 0.79 SCN9A (0.41) SLC6A2SLC6A4SLC6A3SCN9ALMNA
SCHEMBL23221568 0.79 MEN1 (0.39) SLC6A2SLC6A4SLC6A3SCN9ALMNA
SCHEMBL18153377 0.78 S1PR2 (0.46) LMNA

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
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS SLC6A2 4805/4885SLC6A4 4820/4885SLC6A3 4792/4885

“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.