SCHEMBL6449180

SCHEMBL6449180

N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.32
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL20512605 1.00 GABRR1 (0.34) GABRR1TDP1KDM1ASLC6A12SLC6A11
SCHEMBL20512687 1.00 GABRR1 (0.34) GABRR1TDP1KDM1ASLC6A12SLC6A11
SCHEMBL1979383 1.00 GABRR1 (0.34) GABRR1TDP1KDM1ASLC6A12SLC6A11
SCHEMBL6418101 1.00 GABRR1 (0.34) GABRR1TDP1KDM1ASLC6A12SLC6A11
SCHEMBL30850119 0.85 GABRR1 (0.31) GABRR1TDP1
SCHEMBL31265074 0.85 GABRR1 (0.31) GABRR1TDP1
SCHEMBL21631705 0.85 GABRR1 (0.30) GABRR1TDP1
SCHEMBL21631749 0.85 GABRR1 (0.30) GABRR1TDP1
SCHEMBL21631505 0.85 GABRR1 (0.30) GABRR1TDP1
SCHEMBL26185931 0.85 GABRR1 (0.30) GABRR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE GABRR1 242/4885TDP1 811/4885KDM1A 2094/4885
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 GABRR1 2131/4885TDP1 2026/4885KDM1A 762/4885

“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.