SCHEMBL22426239

SCHEMBL22426239

Cc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
BCHE P06276 1/20 0.51
GLA P06280 1/20 0.48
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR6 P50406 1/20 0.46

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
SCHEMBL22426240 1.00 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22426258 0.88 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22426257 0.88 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL9634928 0.87 SMN1; SMN2 (0.69) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL22426264 0.87 SMN1; SMN2 (0.69) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL22426271 0.82 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22426267 0.82 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22446336 0.81 SMN1; SMN2 (0.61) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22426259 0.80 SMN1; SMN2 (0.60) ALDH1A1POLBSMN1; SMN2ACHEBACE1
SCHEMBL22426260 0.80 SMN1; SMN2 (0.60) ALDH1A1POLBSMN1; SMN2ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES NORTHWESTERN UNIVERSITY 2021-01-07 US disclosed
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES NORTHWESTERN UNIVERSITY 2021-01-07 US disclosed
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2020-09-22 US disclosed
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2020-09-22 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 (3 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-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles AADAC, COASY, PAICS ALDH1A1 142/4885POLB 828/4885SMN1; SMN2 934/4885
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles AADAC, COASY, PAICS ALDH1A1 126/4885POLB 847/4885SMN1; SMN2 999/4885
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES COASY, AADAC, AOC1 ALDH1A1 97/4885POLB 885/4885SMN1; SMN2 1076/4885

“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.