SCHEMBL4525757

SCHEMBL4525757

COCC1CCCN(C(=O)c2ccc3nccnc3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
HPGD P15428 2/20 0.60
GALR3 O60755 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
VNN1 O95497 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GRM3 Q14832 3/20 0.47
PROKR1 Q8TCW9 1/20 0.47
CCR3 P51677 1/20 0.46

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
SCHEMBL4519586 0.90 HPGD (0.56) RAB9ANPC1HPGDGALR3ATM
SCHEMBL4534518 0.88 HPGD (0.62) RAB9ANPC1HPGDKMT2APOLB
SCHEMBL4523937 0.87 HPGD (0.64) RAB9ANPC1HPGDKMT2APOLB
SCHEMBL4520705 0.84 HPGD (0.62) RAB9ANPC1HPGDVNN1ALDH1A1
SCHEMBL4522870 0.82 HPGD (0.67) RAB9ANPC1HPGDKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4560091 0.81 HPGD (0.66) RAB9ANPC1HPGDKMT2AALDH1A1
SCHEMBL4520206 0.81 HPGD (0.58) RAB9ANPC1HPGDKMT2APOLB
SCHEMBL4521372 0.81 HPGD (0.68) RAB9ANPC1HPGDVNN1ALDH1A1
SCHEMBL4530457 0.78 HPGD (0.67) RAB9ANPC1HPGDVNN1ALDH1A1
SCHEMBL4527873 0.77 HPGD (0.97) HPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US claimed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP claimed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 WO claimed
US-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US disclosed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP disclosed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 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-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use GRM2, GRIK5, GRIN2A RAB9A 1184/4885NPC1 2530/4885HPGD 470/4885

“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.