SCHEMBL5453488

SCHEMBL5453488

CC(C)c1ccc(CC(=O)N2CCc3c(O)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 7/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ ME2 P23368 1/20 0.35

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
SCHEMBL5465878 0.87 MAPT (0.45) PANK3TMEM97SIGMAR1MAPTKMT2A
SCHEMBL5450120 0.84 TMEM97 (0.57) PANK3TMEM97SIGMAR1MAPTHTT
SCHEMBL5446330 0.82 TMEM97 (0.49) PANK3TMEM97SIGMAR1MEN1KMT2A
SCHEMBL5446440 0.77 HTR6 (0.43) PANK3KMT2ANPC1
SCHEMBL5456290 0.77 MAPT (0.46) MAPTMEN1KMT2ANPC1NPBWR1
SCHEMBL5452259 0.77 MAPT (0.46) TMEM97SIGMAR1MAPTHTTKMT2A
Ammonia Solution, Strong SCHEMBL5452545 0.76 MAPT (0.46) TMEM97SIGMAR1MAPTKMT2ANPC1
SCHEMBL5446341 0.76 MAPT (0.59) MAPTALDH1A1GAAKMT2ANPC1
SCHEMBL5449891 0.76 GFER (0.47) TMEM97SIGMAR1MAPTALDH1A1MEN1
SCHEMBL5461787 0.76 GFER (0.50) TMEM97SIGMAR1MAPTHTTKMT2A

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 PANK3 3522/4885TMEM97 896/4885SIGMAR1 1001/4885

“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.

Send feedback