SCHEMBL31116699

SCHEMBL31116699

[2H]C1([2H])COC(c2cccc(C)c2)CN1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 1/20 0.46
HTR2C P28335 3/20 0.44
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL20275827 0.84 DRD2 (0.68) DRD2DRD3HTR1AHTR2CPRKACA
SCHEMBL2146850 0.84 DRD2 (0.68) DRD2DRD3HTR1AHTR2CPRKACA
SCHEMBL22425357 0.84 DRD2 (0.68) DRD2DRD3HTR1AHTR2CPRKACA
SCHEMBL31116731 0.82 DRD2 (0.49) DRD2DRD3HTR1ASLC6A3
SCHEMBL30374018 0.80 TSHR (0.47) DRD2DRD3HTR1A
SCHEMBL31116767 0.78 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL31116769 0.77 CCR1 (0.37) DRD2DRD3SLC6A3
SCHEMBL31116780 0.77 CCR1 (0.37) DRD2DRD3SLC6A3
SCHEMBL1499496 0.73 TSHR (0.54) HTR2CMEN1KMT2AHTR2ASLC6A4
SCHEMBL7779276 0.73 TSHR (0.54) HTR2CMEN1KMT2AHTR2ASLC6A4

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-20250051316-A1 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-02-13 US disclosed
EP-4428128-A1 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-09-11 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-20250051316-A1 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TAAR1, TAAR5, AVPR2 DRD2 171/4885DRD3 334/4885HTR1A 66/4885

“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.