SCHEMBL243368

SCHEMBL243368

C[C@@H](CNN)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 1.00
TAAR1 Q96RJ0 4/20 0.63
TRPA1 O75762 3/20 0.45
RIPK1 Q13546 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRIA4 P48058 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL163710 1.00 AOC3 (1.00) AOC3TAAR1TRPA1RIPK1NPC1
Hydrochloric Acid SCHEMBL11531581 0.98 AOC3 (0.96) AOC3TAAR1TRPA1RIPK1NPC1
SCHEMBL18459579 0.82 AOC3 (0.69) AOC3TAAR1GRIA4
SCHEMBL11046082 0.81 TAAR1 (0.68) AOC3TAAR1TRPA1RIPK1NPC1
SCHEMBL8720305 0.80 AOC3 (0.67) AOC3TAAR1GRIA4
SCHEMBL23783575 0.79 TAAR1 (0.95) AOC3TAAR1TRPA1RIPK1NPC1
Phenpromethamine SCHEMBL3958676 0.79 TAAR1 (0.95) AOC3TAAR1TRPA1RIPK1NPC1
Phenpromethamine SCHEMBL4917327 0.79 TAAR1 (0.95) AOC3TAAR1TRPA1RIPK1NPC1
Phenpromethamine SCHEMBL681384 0.79 TAAR1 (0.95) AOC3TAAR1TRPA1RIPK1NPC1
SCHEMBL11106041 0.78 AOC3 (0.64) AOC3TAAR1TRPA1RIPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 US claimed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 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-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) BCL3, BCL9, BCL2 AOC3 1873/4885TAAR1 4637/4885TRPA1 1995/4885

“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.