SCHEMBL29827751

SCHEMBL29827751

COc1cc(CC(C)N)cc2c1OCO2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
TAAR1 Q96RJ0 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 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
SCHEMBL1739571 1.00 CYP3A4 (0.62) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL217047 1.00 CYP3A4 (0.62) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
Hydrochloric Acid SCHEMBL31545549 0.99 CYP3A4 (0.61) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL31166209 0.88 ALDH1A1 (0.48) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL5305466 0.88 ALDH1A1 (0.48) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
Tenamfetamine SCHEMBL9102083 0.83 TAAR1 (0.57) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL2350405 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL29827277 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2
SCHEMBL9781426 0.81 CYP3A4 (0.69) CYP3A4ALDH1A1SMN1; SMN2MEN1KMT2A
Tenamfetamine SCHEMBL9102090 0.80 SLC6A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303564-B2 Composite chitosan-tannin-active agent compositions and methods of making and using same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-05-20 US disclosed
WO-2024261775-A1 A DRUG-ANTAGONIST COMBINATION DOSAGE FORM PATEL JAYENDRAKUMAR DASHARATHLAL (IN) 2024-12-26 WO disclosed
US-20220296720-A1 COMPOSITE CHITOSAN-TANNIN-ACTIVE AGENT COMPOSITIONS AND METHODS OF MAKING AND USING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-09-22 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 (2 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-20220296720-A1 COMPOSITE CHITOSAN-TANNIN-ACTIVE AGENT COMPOSITIONS AND METHODS OF MAKING AND USING SAME TTPA, CHIA, CHIT1 CYP3A4 4383/4885ALDH1A1 3850/4885SMN1; SMN2 2943/4885
US-12303564-B2 Composite chitosan-tannin-active agent compositions and methods of making and using same TTPA, CHIA, CHIT1 CYP3A4 4383/4885ALDH1A1 3850/4885SMN1; SMN2 2943/4885

“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.