SCHEMBL3661079

SCHEMBL3661079

CC1(NCc2ccc(Cl)c(Cl)c2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
SIGMAR1 Q99720 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.42
SLC6A2 P23975 9/20 0.42
SLC6A4 P31645 9/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2796641 0.78 ALDH1A1 (0.44) CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4604214 0.76 TACR1 (0.44) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17269799 0.73 EPHX2 (0.42) CYP2C9
SCHEMBL3098636 0.72 OPRL1 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL17262484 0.72 EPHX2 (0.41) CYP2C9
SCHEMBL15537060 0.70 SLC6A2 (0.49) PRMT5WDR77SIGMAR1CYP3A4CYP2D6
SCHEMBL19603375 0.69 TACR1 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL4980744 0.69 PRMT5 (0.64) PRMT5WDR77SIGMAR1CYP3A4CYP2D6
SCHEMBL1220897 0.69 SLC6A2 (0.50) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5021635 0.69 ALDH1A1 (0.50) CYP2D6SMN1; SMN2

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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 PRMT5 1877/4885WDR77 3368/4885SIGMAR1 1314/4885

“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.