SCHEMBL765297

SCHEMBL765297

CCc1ccc(CC(C)NC)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.65
SLC18A2 Q05940 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
SLC6A4 P31645 3/20 0.63
ACACB O00763 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR1B P28222 4/20 0.47

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
SCHEMBL10076448 0.82 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL178625 0.82 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL178552 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL7316113 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL11265489 0.80 CYP2D6 (0.68) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL23524368 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL178533 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
SCHEMBL14524005 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL21286088 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ACACB
Pholedrine SCHEMBL119262 0.80 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6

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
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 TAAR1 1125/4885SLC18A2 732/4885SIGMAR1 1105/4885

“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.