SCHEMBL4119215

SCHEMBL4119215

C[N]c1c(C)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.56
▸ TSHR P16473 5/20 0.56
▸ CYP2A6 P11509 5/20 0.56
▸ ALDH1A1 P00352 7/20 0.48
▸ HSD17B10 Q99714 6/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPRT1 P00492 1/20 0.42
▸ THRB P10828 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 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
SCHEMBL7482723 0.84 CYP1A2 (0.58) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL14118304 0.81 TSHR (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL7478781 0.77 CYP2A6 (0.54) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL31148851 0.76 TSHR (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL28592593 0.76 CYP1A2 (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL17472993 0.76 TSHR (0.48) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL7058583 0.75 CYP1A2 (0.43) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL15181274 0.75 THRB (0.50) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL12133347 0.75 THRB (0.62) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
SCHEMBL16746723 0.75 CYP1A2 (0.47) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10

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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — US claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 — — WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 CYP1A2 1229/4885TSHR 2164/4885CYP2A6 852/4885

“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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