SCHEMBL7122383

SCHEMBL7122383

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cnc(C(F)(F)F)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.38
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
SLC6A5 Q9Y345 3/20 0.33
LMNA P02545 1/20 0.33
HPGDS O60760 1/20 0.33
PTK2 Q05397 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MLYCD O95822 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL7125345 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13CHRNB2
SCHEMBL7127470 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13
SCHEMBL7113578 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7124681 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7124030 0.83 MMP2 (0.36) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7125144 0.83 EPHX2 (0.35) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7120386 0.82 SCN9A (0.43) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7116870 0.82 SCN9A (0.37) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7113608 0.82 MMP2 (0.34) MMP2MMP7MMP9MMP13
SCHEMBL7117106 0.82 SCN9A (0.56) SCN9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 SCN9A 1704/4885MMP2 3731/4885MMP7 2061/4885

“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.