SCHEMBL7123321

SCHEMBL7123321

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.37
CHRNA7 P36544 3/20 0.35
F10 P00742 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SSTR3 P32745 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
SCHEMBL7115114 0.91 GRM5 (0.37) GRM5CHRNB4CHRNA3TRPV1SSTR3
SCHEMBL7120701 0.88 SMYD3 (0.38) GRM5CHRNA7CHRNB4CHRNA3SSTR3
SCHEMBL6100290 0.87 SSTR3 (0.40) GRM5TRPV1SSTR3
SCHEMBL7114386 0.87 SLC6A3 (0.38) GRM5CHRNA7F10CHRNB4CHRNA3
SCHEMBL7120785 0.87 PLAU (0.42) GRM5CHRNA7CHRNB4CHRNA3
SCHEMBL7124887 0.87 GRM5 (0.37) GRM5CHRNA7
SCHEMBL7122443 0.87 KDM2B (0.41)
SCHEMBL7126600 0.87 GRM5 (0.39) GRM5CHRNA7
SCHEMBL7116055 0.86 TAS1R3 (0.40) GRM5CHRNA7TRPV1
SCHEMBL7124895 0.85 PLAU (0.36) CHRNA7TRPV1

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 GRM5 2824/4885CHRNA7 397/4885F10 4216/4885

“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.