SCHEMBL22246115

SCHEMBL22246115

Nc1ccc(N2CCC3(CC2)CC(=O)C3)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 3/20 0.57
▸ MAPT P10636 8/20 0.54
▸ GAA P10253 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP3A4 P08684 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HTR1A P08908 3/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ YWHAG P61981 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL22520171 0.86 ALDH1A1 (0.39) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL30948588 0.79 CA1 (0.45) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL15358686 0.78 ALDH1A1 (0.81) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL22246153 0.78 ALDH1A1 (0.51) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL29400276 0.77 ALDH1A1 (0.55) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL24832881 0.76 ALDH1A1 (0.48) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL76629 0.75 ALDH1A1 (0.96) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL22246095 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL31312874 0.74 MAPT (0.64) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL854657 0.74 MAPT (0.64) ALDH1A1POLBMAPTGAASMN1; SMN2

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
CN-113302196-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2023-08-04 — — CN disclosed
US-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-03-03 — — US disclosed
WO-2020147702-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-07-23 — — WO 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-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof EGFR, ERBB2, ERBB3 ALDH1A1 3755/4885POLB 2679/4885MAPT 3194/4885

“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.

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