SCHEMBL31370720

SCHEMBL31370720

CC(C)(C)Oc1ccc(CCCN)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PPARA Q07869 2/20 0.46
MAOB P27338 2/20 0.43
HTR2A P28223 2/20 0.41
AKT2 P31751 1/20 0.41
MAOA P21397 1/20 0.41
PPARG P37231 1/20 0.39
CALM1 P0DP23 1/20 0.39
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL1049645 0.88 TAAR1 (0.61) TAAR1MAOB
Hydrochloric Acid SCHEMBL14157305 0.86 TAAR1 (0.59) TAAR1MAOB
SCHEMBL5702512 0.82 PPARA (0.47) PPARAHTR2AESR1
SCHEMBL2024806 0.81 SLC7A5 (0.48) TAAR1MAOB
SCHEMBL9479738 0.81 PPARA (0.50) PPARAPPARGCALM1
SCHEMBL18745376 0.81 PPARA (0.46) TAAR1PPARAPPARGCALM1
SCHEMBL9165832 0.81 PPARA (0.46) TAAR1PPARAPPARGCALM1
SCHEMBL6398359 0.81 PPARA (0.46) TAAR1PPARAPPARGCALM1
SCHEMBL3451212 0.81 PPARA (0.68) PPARAPPARGCALM1
SCHEMBL9165829 0.81 PPARA (0.46) TAAR1PPARAPPARGCALM1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TAAR1 2975/4885PPARA 3450/4885MAOB 4698/4885

“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.