SCHEMBL6385992

SCHEMBL6385992

CC1CCCCN1CCCNC(=O)c1cnc(NNC(=S)NC2c3ccccc3CCc3ccccc32)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 10/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR3A P46098 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6385253 0.93 CACNA1G (0.48) CACNA1GMAPTLMNATP53RAB9A
SCHEMBL6386737 0.88 KDM4E (0.46) MAPTLMNATP53DRD2DRD3
SCHEMBL6388847 0.86 HTR2C (0.49) CACNA1GDRD3
SCHEMBL6387771 0.85 HTR2C (0.49) CACNA1GDRD3HTR3A
SCHEMBL6391790 0.84 HTR2C (0.41) DRD3
SCHEMBL6389748 0.84 SMN1; SMN2 (0.47) GAA
SCHEMBL6391308 0.84 KDM4E (0.43) DRD2DRD3GAA
SCHEMBL6387774 0.82 MCHR1 (0.43) MAPTLMNADRD2DRD3GAA
SCHEMBL6386620 0.82 MCHR1 (0.43) MAPTLMNADRD2DRD3GAA
SCHEMBL6391002 0.82 HTR2C (0.46) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 WO claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 CACNA1G 597/4885MAPT 4133/4885LMNA 2266/4885

“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.