SCHEMBL3661082

SCHEMBL3661082

CC1(N)CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ SIGMAR1 Q99720 5/20 0.59
▸ OPRL1 P41146 1/20 0.54
▸ MMP1 P03956 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ ADAM17 P78536 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ PTPN7 P35236 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ GPR183 P32249 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
SCHEMBL1994180 0.78 SIGMAR1 (0.61) POLBSIGMAR1OPRL1ALDH1A1MEN1
SCHEMBL6795896 0.78 POLB (0.96) SMN1; SMN2POLBSIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL15608841 0.77 CYP3A4 (0.59) POLBSIGMAR1OPRL1ALDH1A1MEN1
SCHEMBL13202506 0.77 SIGMAR1 (0.73) SMN1; SMN2POLBSIGMAR1CYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL27704870 0.77 CYP3A4 (0.59) POLBSIGMAR1OPRL1ALDH1A1MEN1
SCHEMBL24023501 0.76 POLB (1.00) SMN1; SMN2POLBSIGMAR1KDM4EALDH1A1
SCHEMBL13293705 0.76 POLB (1.00) SMN1; SMN2POLBSIGMAR1KDM4EALDH1A1
SCHEMBL30596563 0.76 POLB (1.00) SMN1; SMN2POLBSIGMAR1KDM4EALDH1A1
SCHEMBL24023500 0.76 POLB (1.00) SMN1; SMN2POLBSIGMAR1KDM4EALDH1A1
SCHEMBL20868550 0.76 SMN1; SMN2 (0.58) SMN1; SMN2POLBSIGMAR1OPRL1MMP1

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 SMN1; SMN2 3514/4885POLB 954/4885SIGMAR1 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.

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