SCHEMBL21768166

SCHEMBL21768166

COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TNIK Q9UKE5 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
APAF1 O14727 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CHRM5 P08912 1/20 0.44
DRD3 P35462 1/20 0.43
PRMT5 O14744 1/20 0.43

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
SCHEMBL14991264 0.92 GAA (0.47) ADAM17ALDH1A1POLBSMN1; SMN2TNIK
SCHEMBL2028812 0.90 ADAM17 (0.48) ADAM17POLBSMN1; SMN2TNIKDRD2
SCHEMBL31666958 0.88 CYP26A1 (0.51) ADAM17POLBTNIKMEN1KMT2A
SCHEMBL1002943 0.88 ADAM17 (0.57) ADAM17ALDH1A1SMN1; SMN2TNIKLMNA
SCHEMBL31409517 0.86 ESR1 (0.48) ADAM17POLBTNIKMEN1KMT2A
SCHEMBL16271576 0.84 MEN1 (0.47) ADAM17POLBTNIKMEN1KMT2A
SCHEMBL14991601 0.83 LMNA (0.49) ADAM17POLBTNIKLMNAMEN1
SCHEMBL18786848 0.83 GAA (0.46) ADAM17ALDH1A1POLBTNIKMEN1
SCHEMBL29364860 0.83 PARK7 (0.47) ADAM17POLBTNIKMEN1KMT2A
SCHEMBL30648681 0.83 GAA (0.46) ADAM17ALDH1A1POLBTNIKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 ADAM17 1896/4885ALDH1A1 71/4885POLB 1289/4885

“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.