SCHEMBL17348102

SCHEMBL17348102

Cc1ccc(-c2nc(CN3CCC(C(=O)NCCCN4C[C@H](C)C[C@H](C)C4)CC3)c(C)o2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.77
MITF O75030 2/20 0.74
CHRM5 P08912 1/20 0.74
ADRA2A P08913 1/20 0.74
ADRA2C P18825 1/20 0.74
SLC6A2 P23975 1/20 0.74
HRH2 P25021 1/20 0.74
SLC6A4 P31645 1/20 0.74
OPRK1 P41145 1/20 0.74
HTR2B P41595 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.69
MAPK1 P28482 1/20 0.64
TP53 P04637 5/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 2/20 0.61
LMNA P02545 1/20 0.58
THRB P10828 2/20 0.57
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL18782402 0.93 MITF (0.85) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL2355493 0.93 MITF (0.85) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL17348173 0.93 HTT (0.74) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL17348135 0.92 HTT (0.74) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL17338687 0.92 HTT (0.74) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL17348152 0.91 HTT (0.76) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL17348168 0.90 CHRM5 (0.75) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL18782232 0.90 CHRM5 (0.76) HTTMITFCHRM5ADRA2AADRA2C
SCHEMBL20979261 0.89 HTT (0.74) HTTMITFL3MBTL1MAPK1TP53
SCHEMBL17348141 0.89 HTT (0.82) HTTMITFCHRM5ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154966-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF US HEALTH (US) 2019-05-08 EP disclosed
US-10202367-B2 Heterocyclic compounds and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-12 US disclosed
US-20170114053-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-04-27 US disclosed
WO-2015192077-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-12-17 WO 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-10202367-B2 Heterocyclic compounds and methods of use thereof HAVCR2, AR, AKR7A2 HTT 2362/4885MITF 2310/4885CHRM5 3226/4885
US-20170114053-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF HAVCR2, AR, AKR7A2 HTT 2362/4885MITF 2310/4885CHRM5 3226/4885

“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.