SCHEMBL5451050

SCHEMBL5451050

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)C(N)=O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.42
HTR1D P28221 12/20 0.42
HTR1B P28222 12/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR6 P50406 4/20 0.40
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTHFD2 P13995 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE4B Q07343 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5447987 0.87 TMEM97 (0.46) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5449579 0.85 HTR1A (0.43) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5461519 0.84 HTR1A (0.46) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5458753 0.84 HTR1A (0.49) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5448061 0.83 HTR1A (0.48) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5458682 0.81 HTR1A (0.49) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5452400 0.81 HTR1A (0.51) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5444094 0.81 GFER (0.53) KDM4EALDH1A1HSD17B10
SCHEMBL5452259 0.80 MAPT (0.46) HTR1AHTR1DHTR1BTMEM97SIGMAR1
SCHEMBL5445015 0.79 NPC1 (0.58) HTR1AHTR1DHTR1BTMEM97SIGMAR1

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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 (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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTR1A 3/4885HTR1D 2/4885HTR1B 1/4885

“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.