SCHEMBL21780106

SCHEMBL21780106

C=C(CN)COc1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 2/20 0.40
AOC3 Q16853 1/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
KCNA5 P22460 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 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
SCHEMBL21780133 0.84 NPC1 (0.39) MAPTALDH1A1NPC1MAOBTSHR
SCHEMBL21780048 0.84 AOC2 (0.52) MAOBAOC3
Trifluoroacetic Acid SCHEMBL21768119 0.79 AOC2 (0.48) MAOBAOC3
SCHEMBL28901210 0.78 AOC2 (0.42) CPT2CPT1AMAPTALDH1A1RAB9A
SCHEMBL21845160 0.77 MAPT (0.47) MAPTALDH1A1MAOBAOC3TSHR
SCHEMBL21768105 0.74 CPT2 (0.41) CPT2CPT1AMAPTALDH1A1RAB9A
SCHEMBL21768104 0.74 CPT2 (0.41) CPT2CPT1AMAPTALDH1A1RAB9A
SCHEMBL21768167 0.74 MAOB (0.56) ALDH1A1MAOBENPP2ATXN2HPGD
SCHEMBL30089453 0.74 MAOB (0.56) ALDH1A1MAOBENPP2ATXN2HPGD
SCHEMBL21768173 0.72 MAOB (0.47) MAPTALDH1A1RAB9ANPC1MAOB

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-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 CPT2 2395/4885CPT1A 333/4885MAPT 2155/4885

“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.