SCHEMBL6489853

SCHEMBL6489853

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1nc3ccccc3[nH]1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.50
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KDR P35968 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
GRIN1 Q05586 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL6496169 0.84 TMEM97 (0.48) CYP1A2CYP3A4MAPTDRD3HSD17B10
SCHEMBL6486984 0.84 KDR (0.45) KDRCYP1A2CYP3A4DRD3TMEM97
SCHEMBL6499061 0.81 NPC1 (0.38) KDRCYP1A2CYP3A4DRD2DRD4
SCHEMBL6498302 0.81 CYP1A2 (0.44) MAPK1LMNATSHRCYP1A2CYP3A4
SCHEMBL6495760 0.81 TMEM97 (0.44) GRIN2BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6496625 0.80 TMEM97 (0.45) LMNACYP1A2CYP3A4TMEM97SIGMAR1
SCHEMBL6490718 0.79 ALDH1A1 (0.39) TSHRCYP2D6HPGDTDP1TMEM97
SCHEMBL6489104 0.79 SIGMAR1 (0.46) TSHRCYP2D6CHRM1TMEM97SIGMAR1
SCHEMBL6488679 0.79 TMEM97 (0.39) TSHRCYP3A4CYP2D6CYP2C19DRD3
SCHEMBL6497047 0.78 SMN1; SMN2 (0.43) LMNACYP2D6MAPTHSD17B10HPGD

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-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 GRIN2B 2765/4885MAPK1 269/4885LMNA 3536/4885

“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.