SCHEMBL22015789

SCHEMBL22015789

C[C@@]12CNC[C@]1(C)CN(c1ccc(N3CCOCC3)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 6/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 2/20 0.47
LGMN Q99538 2/20 0.46
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL22014810 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2AHSD17B10
SCHEMBL27400025 0.79 ADRB1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22014811 0.77 KDM4E (0.50) ALDH1A1KDM4EPDGFRBADRB1
SCHEMBL25387770 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL9093746 0.77 LMNA (0.71) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL22015091 0.76 ADRB1 (0.36) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL22015092 0.75 HIF1A (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7082120 0.74 ADRB1 (0.63) ALDH1A1MAPTKDM4EHTTMEN1
Bromide SCHEMBL6539744 0.72 ADRB1 (0.61) ALDH1A1MAPTKDM4EHTTMEN1
Hydrochloric Acid SCHEMBL28769210 0.72 ADRB1 (0.61) ALDH1A1MAPTKDM4EHTTMEN1

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-113365984-B LOX inhibitors 癌症研究协会皇家癌症医院 2024-10-15 CN disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 ALDH1A1 122/4885MAPT 4629/4885KDM4E 849/4885

“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.