SCHEMBL5404713

SCHEMBL5404713

CC(C)CCCOc1ccc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
KCNH2 Q12809 1/20 0.42
ROCK2 O75116 5/20 0.41
NOS1 P29475 3/20 0.41
ROCK1 Q13464 3/20 0.41
METAP2 P50579 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5415296 0.93 MAOB (0.47) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL5407397 0.84 KCNH2 (0.49) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL9332368 0.82 MAOB (0.48) MAOBHTR1AHTR1DHTR1BRAB9A
SCHEMBL4980408 0.81 MAOB (0.52) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL16023545 0.79 NOS1 (0.50) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL5410655 0.79 ROCK2 (0.50) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL14863544 0.79 NOS1 (0.50) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL25921681 0.79 MAOB (0.47) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL3537344 0.79 RAB9A (0.60) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL5415150 0.78 DYRK3 (0.53) MAOBRAB9AMEN1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885HTR1A 2924/4885HTR1D 2504/4885

“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.