SCHEMBL1246294

SCHEMBL1246294

NCCc1ccc(O)c2c1OCC(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.59
DRD3 P35462 7/20 0.59
DRD4 P21917 6/20 0.59
DRD1 P21728 2/20 0.59
DRD5 P21918 1/20 0.59
ADRB1 P08588 10/20 0.47
ADRB2 P07550 5/20 0.47
SMYD2 Q9NRG4 3/20 0.46
HTR2A P28223 1/20 0.45

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
Hydrochloric Acid SCHEMBL1244917 0.99 DRD2 (0.58) DRD2DRD3DRD4DRD1DRD5
Acetic Acid SCHEMBL28545033 0.94 DRD2 (0.53) DRD2DRD3DRD4DRD1DRD5
SCHEMBL1246145 0.87 DRD2 (0.51) DRD2DRD3DRD4DRD1ADRB1
SCHEMBL13437595 0.86 DRD2 (0.56) DRD2DRD3DRD4DRD1DRD5
SCHEMBL12119317 0.84 DRD2 (0.56) DRD2DRD3DRD4DRD1ADRB1
SCHEMBL9909663 0.82 ADRB1 (0.52) DRD2DRD3DRD4DRD1ADRB1
SCHEMBL28545030 0.78 NR3C2 (0.45) DRD2DRD3DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL4022568 0.77 ADRB1 (0.55) DRD2DRD3DRD4DRD1ADRB1
SCHEMBL18122621 0.76 ADRB1 (0.68) ADRB1ADRB2
SCHEMBL3225165 0.76 ADRB1 (0.68) ADRB1ADRB2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195975-B Diazaspiro [5.5] undecane derivative and application thereof 四川海思科制药有限公司 2022-01-04 CN disclosed
CN-107849014-B Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-07-09 CN disclosed
WO-2017107877-A1 BIPHENYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2017-06-29 WO disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 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 (3 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-20160031838-A1 SMYD2 INHIBITORS SMYD2, SMYD3, NSD1 DRD2 1794/4885DRD3 1951/4885DRD4 2632/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A DRD2 18/4885DRD3 46/4885DRD4 76/4885
US-20100105642-A1 NOVEL COMPOUNDS 409 GPR119, CYP4B1, CYP4A11 DRD2 1004/4885DRD3 875/4885DRD4 341/4885

“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.