SCHEMBL26313628

SCHEMBL26313628

Cc1ccc(-c2cccc(CCCCN)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
MAOA P21397 1/20 0.48
HTR7 P34969 2/20 0.47
MAOB P27338 4/20 0.43
BACE1 P56817 1/20 0.43
FFAR1 O14842 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
MPO P05164 1/20 0.40
HRH1 P35367 2/20 0.40

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
SCHEMBL13958743 0.95 TAAR1 (0.50) TAAR1MAOAHTR7MAOBBACE1
SCHEMBL13958745 0.83 TAAR1 (0.61) TAAR1MAOAHTR7FFAR1CYP2A6
SCHEMBL26313621 0.82 CYP1A2 (0.61) TAAR1MAOAMAOBBACE1CYP1A2
SCHEMBL25496067 0.82 CYP4F2 (0.47) FFAR1IGF1RALOX15
SCHEMBL20365432 0.81 FFAR1 (0.43) MAOBFFAR1IGF1RALOX15MPO
SCHEMBL8605570 0.80 TAAR1 (0.74) TAAR1MAOAHRH1
SCHEMBL3727224 0.80 TAAR1 (0.54) TAAR1FFAR1CYP2A6MPO
SCHEMBL4035870 0.80 MAOA (0.57) TAAR1MAOAHTR7MAOBCYP1A2
SCHEMBL29706557 0.80 MAOA (0.57) TAAR1MAOAHTR7MAOBCYP1A2
SCHEMBL15138999 0.80 MAOA (0.50) TAAR1MAOAHTR7MAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 TAAR1 3573/4885MAOA 4327/4885HTR7 3501/4885

“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.