SCHEMBL7120701

SCHEMBL7120701

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2cccc(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCE Q02156 2/20 0.36
CHRNA7 P36544 3/20 0.35
GRM5 P41594 2/20 0.35
PRKCG P05129 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
SSTR3 P32745 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL7120687 0.91 KDM2B (0.39) SMYD3CHRNB4CHRNA3PRKCBPRKCA
SCHEMBL6100290 0.88 SSTR3 (0.40) GRM5SSTR3
SCHEMBL7123321 0.88 GRM5 (0.37) CHRNB4CHRNA3CHRNA7GRM5SSTR3
SCHEMBL7114386 0.88 SLC6A3 (0.38) SMYD3CHRNB4CHRNA3CHRNA7GRM5
SCHEMBL7124887 0.88 GRM5 (0.37) CHRNA7GRM5
SCHEMBL7126600 0.88 GRM5 (0.39) CHRNA7GRM5
SCHEMBL7122443 0.88 KDM2B (0.41)
SCHEMBL7120785 0.88 PLAU (0.42) SMYD3CHRNB4CHRNA3CHRNA7GRM5
SCHEMBL7124895 0.86 PLAU (0.36) CHRNA7
SCHEMBL7126632 0.86 PLAU (0.43) SMYD3CHRNB4CHRNA3CHRNA7GRM5

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 SMYD3 4155/4885CHRNB4 1346/4885CHRNA3 948/4885

“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.