SCHEMBL7115114

SCHEMBL7115114

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2c(S)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
HTR3A P46098 1/20 0.35
PTPN1 P18031 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
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7123321 0.91 GRM5 (0.37) GRM5CHRNB4CHRNA3TRPV1SSTR3
SCHEMBL7120687 0.88 KDM2B (0.39) GRM5HTR3APTPN1CHRNB4CHRNA3
SCHEMBL7126777 0.87 SLC9A1 (0.42) GRM5HTR3APTPN1CHRNB4CHRNA3
SCHEMBL7116435 0.87 GRM5 (0.39) GRM5SSTR3
SCHEMBL6099256 0.87 SSTR3 (0.40) GRM5TRPV1SSTR3SLC6A4SLC6A3
SCHEMBL7120585 0.87 SLC6A3 (0.38) GRM5HTR3APTPN1CHRNB4CHRNA3
SCHEMBL7124744 0.87 DRD4 (0.39) GRM5HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL6101324 0.87 CYP2C9 (0.37) GRM5HTR3APTPN1CHRNB4CHRNA3
SCHEMBL7124222 0.86 TAS1R3 (0.40) GRM5
SCHEMBL7115066 0.85 PTPN1 (0.40) GRM5HTR3APTPN1CHRNB4CHRNA3

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 2824/4885HTR3A 1962/4885PTPN1 1058/4885

“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.