SCHEMBL26313621

SCHEMBL26313621

Cc1ccc(-c2ccc(CCCCN)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
MAOA P21397 1/20 0.54
IGF1R P08069 1/20 0.48
ALOX15 P16050 1/20 0.48
HRH1 P35367 3/20 0.48
HTR2A P28223 2/20 0.48
AKT2 P31751 1/20 0.47
BACE1 P56817 1/20 0.46
MAOB P27338 4/20 0.46
FDFT1 P37268 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL5609503 0.94 TAAR1 (0.70) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8501738 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8502202 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8501852 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL4867215 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8502039 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8498343 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8500424 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
SCHEMBL8501179 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R
Hydrochloric Acid SCHEMBL17260636 0.91 TAAR1 (0.67) CYP1A2CYP2A6TAAR1MAOAIGF1R

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 CYP1A2 1919/4885CYP2A6 3986/4885TAAR1 3573/4885

“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.