SCHEMBL5454925

SCHEMBL5454925

CCCCNc1ccc(C(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 4/20 0.44
HTR1D P28221 8/20 0.41
HTR1B P28222 8/20 0.41
HTR1A P08908 7/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MTHFD1 P11586 2/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 2/20 0.39
HTR6 P50406 2/20 0.39
HTR7 P34969 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5445105 0.88 HTR1A (0.42) HTR1DHTR1BHTR1ANAMPTMAPT
SCHEMBL22411192 0.85 MTHFD2 (0.43) MTHFD2LMNAMAPTMAPK1
SCHEMBL5459678 0.81 LMNA (0.48) MTHFD2LMNAMAPTMAPK1POLB
SCHEMBL5452408 0.80 MEN1 (0.59) MTHFD2HTR1DHTR1BHTR1ALMNA
SCHEMBL5452542 0.80 MEN1 (0.48) MTHFD2NAMPTLMNAMAPTMAPK1
SCHEMBL5450910 0.80 MEN1 (0.48) MTHFD2LMNAMAPK1NPC1POLB
SCHEMBL5458790 0.80 TMEM97 (0.48) MTHFD2HTR1DHTR1BHTR1ANAMPT
SCHEMBL5449763 0.79 MEN1 (0.48) MTHFD2NAMPTLMNAMAPTMAPK1
SCHEMBL5452636 0.77 MTHFD2 (0.44) MTHFD2LMNAMAPK1POLB
SCHEMBL5447987 0.76 TMEM97 (0.46) MTHFD2HTR1DHTR1BHTR1AHTR2A

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 MTHFD2 4243/4885HTR1D 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.