SCHEMBL6795747

SCHEMBL6795747

COc1ccc2ccccc2c1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
MAPT P10636 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
KMT2A Q03164 1/20 0.44
JUND P17535 1/20 0.43
FOSB P53539 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR6 P50406 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7094962 0.89 MAPT (0.56) MAPTMTNR1AMTNR1BNISCHKMT2A
Ammonia Solution, Strong SCHEMBL27509223 0.87 MAPT (0.55) MAPTMTNR1AMTNR1BNISCHKMT2A
SCHEMBL615004 0.79 HTR2C (0.66) HTR2CJUNDFOSBHTR1ASLC6A2
SCHEMBL7010711 0.77 MTNR1A (0.51) MAPTMTNR1AMTNR1BNISCHKMT2A
SCHEMBL5758278 0.77 HTR2C (0.56) HTR2CJUNDFOSBHTR1ASLC6A2
SCHEMBL27997503 0.77 F2 (0.64) MAPTMTNR1AMTNR1BNISCHKMT2A
SCHEMBL23216669 0.76 KDM4E (0.48) HTR2CMAPTKMT2AHTR2AKCNH2
SCHEMBL29768426 0.76 KDM4E (0.48) HTR2CMAPTKMT2AHTR2AKCNH2
SCHEMBL6318727 0.76 HTR1A (0.51) HTR2CMAPTHTR1ASLC6A2SLC6A4
SCHEMBL5584856 0.76 HTR2C (0.54) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-01-26 US disclosed
WO-2021071802-A1 ARYL HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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-20230026611-A1 ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNA3, KCNH2, KCNJ2 HTR2C 1084/4885MAPT 3383/4885MTNR1A 3063/4885
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 HTR2C 233/4885MAPT 4687/4885MTNR1A 189/4885

“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.