SCHEMBL5449579

SCHEMBL5449579

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.43
DRD2 P14416 3/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1D P28221 10/20 0.42
HTR1B P28222 10/20 0.42
DRD3 P35462 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
MTHFD2 P13995 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
SCHEMBL5448061 0.91 HTR1A (0.48) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5458682 0.89 HTR1A (0.49) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5452400 0.88 HTR1A (0.51) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5461519 0.88 HTR1A (0.46) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5458753 0.87 HTR1A (0.49) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5447987 0.86 TMEM97 (0.46) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5452259 0.85 MAPT (0.46) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5451050 0.85 HTR1A (0.42) HTR1ADRD2TMEM97SIGMAR1HTR1D
SCHEMBL5445015 0.85 NPC1 (0.58) HTR1ADRD2TMEM97SIGMAR1HTR1D
Ammonia Solution, Strong SCHEMBL5452545 0.84 MAPT (0.46) HTR1ADRD2TMEM97SIGMAR1HTR1D

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US 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 3/4885DRD2 27/4885TMEM97 896/4885

“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.