SCHEMBL7115168

SCHEMBL7115168

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(C(F)(F)F)o2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
MLYCD O95822 1/20 0.33
CCR2 P41597 7/20 0.32
HDAC4 P56524 4/20 0.32
HDAC6 Q9UBN7 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
EZH2 Q15910 1/20 0.31
CCR3 P51677 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
SCHEMBL7118045 0.85 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7116865 0.85 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7122608 0.84 CHRNA7 (0.34) CHRNA7MLYCDCCR2HDAC4HDAC6
SCHEMBL7117824 0.83 HDAC4 (0.36) CHRNA7MLYCDHDAC4HDAC6
SCHEMBL7115230 0.83 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7113482 0.83 EPHX2 (0.37) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7123917 0.82 HDAC4 (0.39) CHRNA7CCR2HDAC4HDAC6SLC6A2
SCHEMBL7120625 0.82 CCR2 (0.36) CHRNA7CCR2CCR3
SCHEMBL7120646 0.82 SLC6A2 (0.38) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7121828 0.81 PAX8 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2

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 CHRNA7 397/4885MLYCD 4004/4885CCR2 48/4885

“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.