SCHEMBL7124198

SCHEMBL7124198

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nc(C(F)(F)F)co2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.34
HDAC6 Q9UBN7 5/20 0.34
CHRNA7 P36544 1/20 0.33
CCR2 P41597 2/20 0.33
MLYCD O95822 1/20 0.31
ADAM17 P78536 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL7115016 0.87 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7124949 0.85 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7120674 0.84 CHRNA7 (0.34) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7121241 0.84 EPHX2 (0.35) HDAC6CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7124189 0.83 SLC6A2 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7127517 0.82 SLC6A2 (0.34) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7123895 0.82 MGLL (0.38) HDAC4HDAC6CHRNA7CCR2
SCHEMBL7122608 0.82 CHRNA7 (0.34) HDAC4HDAC6CHRNA7CCR2MLYCD
SCHEMBL7127607 0.82 CHRNA7 (0.34) HDAC4HDAC6CHRNA7CCR2MLYCD
SCHEMBL7118019 0.82 HDAC4 (0.37) HDAC4HDAC6CHRNA7CCR2MLYCD

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 HDAC4 1755/4885HDAC6 760/4885CHRNA7 397/4885

“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.