SCHEMBL4534518

SCHEMBL4534518

CCC1CCCN(C(=O)c2ccc3nccnc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
GRM5 P41594 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PROKR1 Q8TCW9 6/20 0.47
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4523937 0.89 HPGD (0.64) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4525757 0.88 RAB9A (0.60) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4519586 0.88 HPGD (0.56) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4522870 0.84 HPGD (0.67) HPGDGRM5NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4560091 0.83 HPGD (0.66) HPGDGRM5NPC1RAB9AALDH1A1
SCHEMBL4520206 0.83 HPGD (0.58) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4521372 0.83 HPGD (0.68) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4520705 0.81 HPGD (0.62) HPGDNPC1RAB9AALDH1A1PROKR1
SCHEMBL4530457 0.80 HPGD (0.67) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL4527873 0.79 HPGD (0.97) HPGDALDH1A1POLB

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 HPGD 470/4885GRM5 8/4885NPC1 2530/4885

“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.