SCHEMBL7366682

SCHEMBL7366682

CC(C)(C)OC(=O)COc1ccc(N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 4/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 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
SCHEMBL7321779 0.85 MAPT (0.53) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL22911172 0.83 MAPT (0.58) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL12814058 0.83 NPSR1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8479291 0.83 GPR119 (0.43) RAB9AMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL14922265 0.82 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7361414 0.82 GPR119 (0.42) RAB9AMAPK1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL12814057 0.82 NPSR1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31286852 0.81 GPR119 (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL12814351 0.80 ITGB3 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
Trifluoroacetic Acid SCHEMBL7358451 0.80 MAPT (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 US disclosed
CN-114667287-A Adenosine A2A receptor antagonists and uses thereof 泰昂治疗公司 2022-06-24 CN disclosed
EP-3999513-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-05-25 EP disclosed
WO-2021011670-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 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-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 ADRB1 31/4885HTR3E 58/4885HTR3B 26/4885

“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.