SCHEMBL6099256

SCHEMBL6099256

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.40
GRM5 P41594 4/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
F10 P00742 4/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6100290 0.91 SSTR3 (0.40) SSTR3GRM5TAS1R3TAS1R2TAS1R1
SCHEMBL7120687 0.88 KDM2B (0.39) SSTR3GRM5
SCHEMBL7120585 0.87 SLC6A3 (0.38) SSTR3GRM5SLC6A3SLC6A4
SCHEMBL7115114 0.87 GRM5 (0.37) SSTR3GRM5SLC6A3SLC6A4TRPV1
SCHEMBL7116435 0.87 GRM5 (0.39) SSTR3GRM5TAS1R3TAS1R2TAS1R1
SCHEMBL6101324 0.87 CYP2C9 (0.37) SSTR3GRM5
SCHEMBL7124744 0.87 DRD4 (0.39) GRM5SLC6A3SLC6A4
SCHEMBL7126777 0.87 SLC9A1 (0.42) GRM5
SCHEMBL6100743 0.86 SLC6A2 (0.34) SSTR3GRM5SLC6A3SLC6A4
SCHEMBL7115066 0.85 PTPN1 (0.40) SSTR3GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
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 (2 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 SSTR3 989/4885GRM5 2824/4885TAS1R3 4742/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 SSTR3 463/4885GRM5 1965/4885TAS1R3 4186/4885

“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.