SCHEMBL11399322

SCHEMBL11399322

Cc1ccc([C@@H](C)CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.62
ACHE P22303 3/20 0.48
STAT3 P40763 1/20 0.44
GRIA4 P48058 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
CA7 P43166 1/20 0.39
PBK Q96KB5 2/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL1989798 1.00 TAAR1 (0.62) TAAR1ACHESTAT3GRIA4CYP1A2
Hydrochloric Acid SCHEMBL5878048 0.98 TAAR1 (0.60) TAAR1ACHESTAT3GRIA4CYP1A2
SCHEMBL3006604 0.89 TAAR1 (0.75) TAAR1TDP1
Hydrochloric Acid SCHEMBL6564727 0.87 TAAR1 (0.71) TAAR1TDP1
SCHEMBL5146825 0.81 ACHE (0.46) TAAR1ACHESTAT3GRIA4CYP1A2
SCHEMBL17504534 0.81 TAAR1 (0.42) TAAR1ACHESTAT3GRIA4CYP1A2
Hydrochloric Acid SCHEMBL5877955 0.80 TAAR1 (0.62) TAAR1TDP1
SCHEMBL4527843 0.80 TAAR1 (0.62) TAAR1ACHEGRIA4TDP1
SCHEMBL20425554 0.78 TAAR1 (0.60) TAAR1CYP1A2CYP2A6ALOX5MAOA
SCHEMBL21286098 0.78 TAAR1 (0.60) TAAR1CYP1A2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
US-20220168362-A1 BACTERIA ENGINEERED TO TREAT DISORDERS INVOLVING THE CATABOLISM OF A BRANCHED CHAIN AMINO ACID SYNLOGIC, INC. 2022-06-02 US disclosed
US-11060073-B2 Bacteria engineered to treat diseases associated with hyperammonemia SYNLOGIC OPERATING COMPANY, INC. (US) 2021-07-13 US disclosed
US-20210180033-A1 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC OPERATING COMPANY, INC. 2021-06-17 US disclosed
US-20190160115-A1 MICROORGANISMS PROGRAMMED TO PRODUCE IMMUNE MODULATORS AND ANTI-CANCER THERAPEUTICS IN TUMOR CELLS SYNLOGIC, INC. 2019-05-30 US disclosed
US-20170253862-A1 Bacteria Engineered to Treat Diseases Associated with Hyperammonemia SYNLOGIC, INC. 2017-09-07 US disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP 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 (4 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-20190160115-A1 MICROORGANISMS PROGRAMMED TO PRODUCE IMMUNE MODULATORS AND ANTI-CANCER THERAPEUTICS IN TUMOR CELLS PDCD1, CD274, PDCD4 TAAR1 3796/4885ACHE 2963/4885STAT3 127/4885
US-20170253862-A1 Bacteria Engineered to Treat Diseases Associated with Hyperammonemia ASS1, AGXT, OAT TAAR1 1400/4885ACHE 3871/4885STAT3 1522/4885
US-11060073-B2 Bacteria engineered to treat diseases associated with hyperammonemia ASS1, AGXT, OAT TAAR1 1400/4885ACHE 3871/4885STAT3 1522/4885
US-20210180033-A1 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA ASS1, AGXT, OAT TAAR1 1400/4885ACHE 3871/4885STAT3 1522/4885

“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.